Renadirsen (CED0032691)

Record Information
Version1.0
Creation Date2026-04-15 16:31:43 UTC
Update Date2026-05-14 20:12:20 UTC
SynCED IDCED0032691
Secondary Accession Numbers
  • CHEM136343
Identification
Common NameRenadirsen
ClassSmall Molecule
Description
Renadirsen is a compound with the chemical formula C208H275N63O110P18S18. With an average molecular weight of 6,552 g/mol, Renadirsen is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC208H275N63O110P18S18
Average Molecular Mass6552.430 g/mol
Monoisotopic Mass6547.811 g/mol
CAS Registry Number1782108-31-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESCO[C@@H]1[C@H](OP(S)(=O)OC[C@H]2O[C@H]([C@H](OC)[C@@H]2OP(S)(=O)OC[C@@]23CCO[C@@H]([C@@H](O2)N2C=C(C)C(=O)NC2=O)[C@@H]3OP(S)(=O)OC[C@H]2O[C@H]([C@H](OC)[C@@H]2OP(S)(=O)OC[C@@]23CCO[C@@H]([C@@H](O2)N2C=C(C)C(N)=NC2=O)[C@@H]3OP(S)(=O)OC[C@@]23CCO[C@@H]([C@@H](O2)N2C=C(C)C(N)=NC2=O)[C@@H]3OP(S)(=O)OC[C@H]2O[C@H]([C@H](OC)[C@@H]2OP(S)(=O)OC[C@H]2O[C@H]([C@H](OC)[C@@H]2OP(S)(=O)OC[C@@]23CCO[C@@H]([C@@H](O2)N2C=C(C)C(N)=NC2=O)[C@@H]3OP(S)(=O)OC[C@@]23CCO[C@@H]([C@@H](O2)N2C=C(C)C(N)=NC2=O)[C@@H]3OP(S)(=O)OCCO)N2C=CC(=O)NC2=O)N2C=NC3=C(N)N=CN=C23)N2C=NC3=C2N=C(N)NC3=O)N2C=NC3=C(N)N=CN=C23)[C@@H](COP(S)(=O)O[C@H]2[C@H]3OCC[C@]2(COP(S)(=O)O[C@H]2[C@H]4OCC[C@]2(COP(S)(=O)O[C@@H]2[C@@H](COP(S)(=O)O[C@@H]5[C@@H](COP(S)(=O)O[C@H]6[C@H]7OCC[C@]6(COP(S)(=O)O[C@H]6[C@H]8OCC[C@]6(COP(S)(=O)O[C@@H]6[C@@H](COP(S)(=O)O[C@H]9[C@H]%10OCC[C@]9(CO)O[C@H]%10N9C=C(C)C(N)=NC9=O)O[C@H]([C@@H]6OC)N6C=NC9=C6N=C(N)NC9=O)O[C@H]8N6C=C(C)C(N)=NC6=O)O[C@H]7N6C=C(C)C(=O)NC6=O)O[C@H]([C@@H]5OC)N5C=NC6=C5N=C(N)NC6=O)O[C@H]([C@@H]2OC)N2C=CC(N)=NC2=O)O[C@H]4N2C=C(C)C(N)=NC2=O)O[C@H]3N2C=C(C)C(N)=NC2=O)O[C@H]1N1C=NC2=C(N)N=CN=C12
InChI IdentifierInChI=1S/C208H275N63O110P18S18/c1-82-45-256(189(282)238-144(82)210)174-124-134(199(63-273,354-174)21-34-318-124)372-386(296,404)332-61-98-114(122(316-17)172(352-98)270-80-234-106-159(270)247-185(222)250-164(106)278)370-394(304,412)340-67-204-26-39-327-133(181(358-204)263-52-89(8)151(217)245-196(263)289)143(204)381-399(309,417)345-72-208-30-43-323-129(183(363-208)265-54-91(10)162(276)253-198(265)291)139(208)377-389(299,407)335-60-97-112(121(315-16)171(351-97)269-79-233-105-158(269)246-184(221)249-163(105)277)366-384(294,402)329-55-92-108(116(310-11)166(346-92)254-31-19-100(209)236-187(254)280)367-391(301,409)338-65-201-23-36-325-131(179(355-201)261-50-87(6)149(215)243-194(261)287)141(201)379-397(307,415)343-70-206-28-41-321-127(177(360-206)259-48-85(4)147(213)241-192(259)285)137(206)375-388(298,406)334-59-96-111(119(313-14)169(350-96)267-77-231-103-153(219)225-74-228-156(103)267)365-385(295,403)331-57-94-113(120(314-15)170(348-94)268-78-232-104-154(220)226-75-229-157(104)268)369-393(303,411)337-64-200-22-35-322-128(182(362-200)264-53-90(9)161(275)252-197(264)290)138(200)376-390(300,408)336-62-99-115(123(317-18)173(353-99)271-81-235-107-160(271)248-186(223)251-165(107)279)371-395(305,413)341-68-203-25-38-326-132(180(357-203)262-51-88(7)150(216)244-195(262)288)142(203)380-398(308,416)344-71-207-29-42-320-126(176(361-207)258-47-84(3)146(212)240-191(258)284)136(207)374-387(297,405)333-58-95-110(118(312-13)168(349-95)266-76-230-102-152(218)224-73-227-155(102)266)364-383(293,401)330-56-93-109(117(311-12)167(347-93)255-32-20-101(274)237-188(255)281)368-392(302,410)339-66-202-24-37-324-130(178(356-202)260-49-86(5)148(214)242-193(260)286)140(202)378-396(306,414)342-69-205-27-40-319-125(135(205)373-382(292,400)328-44-33-272)175(359-205)257-46-83(2)145(211)239-190(257)283/h19-20,31-32,45-54,73-81,92-99,108-143,166-183,272-273H,21-30,33-44,55-72H2,1-18H3,(H,292,400)(H,293,401)(H,294,402)(H,295,403)(H,296,404)(H,297,405)(H,298,406)(H,299,407)(H,300,408)(H,301,409)(H,302,410)(H,303,411)(H,304,412)(H,305,413)(H,306,414)(H,307,415)(H,308,416)(H,309,417)(H2,209,236,280)(H2,210,238,282)(H2,211,239,283)(H2,212,240,284)(H2,213,241,285)(H2,214,242,286)(H2,215,243,287)(H2,216,244,288)(H2,217,245,289)(H2,218,224,227)(H2,219,225,228)(H2,220,226,229)(H,237,274,281)(H,252,275,290)(H,253,276,291)(H3,221,246,249,277)(H3,222,247,250,278)(H3,223,248,251,279)/t92-,93-,94-,95-,96-,97-,98-,99-,108-,109+,110+,111-,112-,113+,114-,115+,116+,117-,118-,119-,120-,121+,122+,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134+,135-,136-,137+,138-,139+,140-,141+,142-,143+,166-,167-,168-,169+,170-,171-,172-,173-,174+,175-,176-,177+,178-,179+,180-,181+,182-,183+,199-,200+,201-,202+,203+,204-,205+,206-,207+,208-,382?,383?,384?,385?,386?,387?,388?,389?,390?,391?,392?,393?,394?,395?,396?,397?,398?,399?/m1/s1
InChI KeyDYDGGTWPZKPVKH-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity ValuesNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
No Sources linked to this compound
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Ribonuclease pancreatic structureClick to view 3D structureRibonuclease pancreaticP07998HumansPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.366
Statistical Significance
6.20e-04
Supporting Reference Compounds
1
E-value
4.82665
Non-secretory ribonuclease structureClick to view 3D structureNon-secretory ribonucleaseP10153HumansPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.366
Statistical Significance
6.20e-04
Supporting Reference Compounds
1
E-value
4.82665
Click to view 3D structureP2X purinoceptor 3Q3UR32Mus musculusPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.301
Statistical Significance
0.0018
Supporting Reference Compounds
4
E-value
14.4021
P2X purinoceptor 3 structureClick to view 3D structureP2X purinoceptor 3P56373HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0086
Supporting Reference Compounds
51
E-value
67.1839
P2X purinoceptor 1 structureClick to view 3D structureP2X purinoceptor 1P51575HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0069
Supporting Reference Compounds
35
E-value
53.6381
P2Y purinoceptor 1 structureClick to view 3D structureP2Y purinoceptor 1P47900HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.291 Low confidence
Statistical Significance
0.009
Supporting Reference Compounds
42
E-value
70.2978
P2X purinoceptor 4 structureClick to view 3D structureP2X purinoceptor 4Q99571HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.293 Low confidence
Statistical Significance
0.0064
Supporting Reference Compounds
32
E-value
50.057
Click to view 3D structureP2Y purinoceptor 1P49652Meleagris gallopavoPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.291 Low confidence
Statistical Significance
0.0054
Supporting Reference Compounds
19
E-value
42.0386
Bifunctional ligase/repressor BirA structureClick to view 3D structureBifunctional ligase/repressor BirAP06709Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.276 Low confidence
Statistical Significance
0.0033
Supporting Reference Compounds
1
E-value
25.4567
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.282 Low confidence
Statistical Significance
0.007
Supporting Reference Compounds
44
E-value
54.4166
Click to view 3D structureGTP:AMP phosphotransferase AK3, mitochondrialP29411Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.278 Low confidence
Statistical Significance
0.0047
Supporting Reference Compounds
2
E-value
36.9784
Click to view 3D structureP2Y purinoceptor 11Q96G91HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.284 Low confidence
Statistical Significance
0.0051
Supporting Reference Compounds
13
E-value
39.5474
Heat shock cognate 71 kDa protein structureClick to view 3D structureHeat shock cognate 71 kDa proteinP19120Bos taurusPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.274 Low confidence
Statistical Significance
0.005
Supporting Reference Compounds
1
E-value
39.0803
Sensor protein kinase WalK structureClick to view 3D structureSensor protein kinase WalKQ9RDT3Staphylococcus aureusPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.274 Low confidence
Statistical Significance
0.005
Supporting Reference Compounds
1
E-value
39.0803
Click to view 3D structureS-adenosylmethionine synthase isoform type-2P18298Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.273 Low confidence
Statistical Significance
0.0048
Supporting Reference Compounds
1
E-value
37.4455
Click to view 3D structure6-phosphogluconate dehydrogenase, decarboxylatingP85968Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.273 Low confidence
Statistical Significance
0.0027
Supporting Reference Compounds
1
E-value
20.9414
ADP-ribose glycohydrolase MACROD1 structureClick to view 3D structureADP-ribose glycohydrolase MACROD1Q9BQ69HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.27 Low confidence
Statistical Significance
0.005
Supporting Reference Compounds
1
E-value
39.0803
ADP-ribose glycohydrolase MACROD2 structureClick to view 3D structureADP-ribose glycohydrolase MACROD2A1Z1Q3HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.27 Low confidence
Statistical Significance
0.005
Supporting Reference Compounds
1
E-value
39.0803
Click to view 3D structureP2Y purinoceptor 12Q9EPX4Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.291 Low confidence
Statistical Significance
0.0049
Supporting Reference Compounds
11
E-value
38.5354
Click to view 3D structureP2X purinoceptor 2Q9UBL9HumansPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.293 Low confidence
Statistical Significance
0.0066
Supporting Reference Compounds
27
E-value
51.3805
Glutamate dehydrogenase 1, mitochondrial structureClick to view 3D structureGlutamate dehydrogenase 1, mitochondrialP00366Bos taurusPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.264 Low confidence
Statistical Significance
0.0044
Supporting Reference Compounds
2
E-value
34.2537
2-dehydropantoate 2-reductase structureClick to view 3D structure2-dehydropantoate 2-reductaseP0A9J4Escherichia coli K-12Predicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.263 Low confidence
Statistical Significance
0.0027
Supporting Reference Compounds
2
E-value
21.3307
Click to view 3D structureInosine-5'-monophosphate dehydrogenase 2P24547Mus musculusPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.264 Low confidence
Statistical Significance
0.0044
Supporting Reference Compounds
3
E-value
34.1758
Click to view 3D structureAdenylate kinase 2, mitochondrialP29410Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.278 Low confidence
Statistical Significance
0.005
Supporting Reference Compounds
3
E-value
38.9246
Click to view 3D structure2-5A-dependent ribonucleaseQ05921Mus musculusPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.292 Low confidence
Statistical Significance
0.0041
Supporting Reference Compounds
2
E-value
31.6068
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available