Serdexmethylphenidate (CED0021306)

Record Information

Version

1.0

Creation Date

2026-04-14 20:58:22 UTC

Update Date

2026-05-14 19:58:45 UTC

SynCED ID

CED0021306

Secondary Accession Numbers

CHEM134033

Identification

Common Name

Serdexmethylphenidate

Class

Small Molecule

Description

Serdexmethylphenidate is an organic compound with the formula C25H29N3O8 and an average molecular weight of 499.52 g/mol. Serdexmethylphenidate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound is found in healthcare, pharmaceuticals, and veterinary products, where it is utilized as a psychostimulant, a nootropic, and an agent used for ADHD. The recorded route of exposure for this substance is oral. Serdexmethylphenidate interacts with three protein targets, acting as an agonist or inhibitor of the sodium-dependent dopamine transporter (SLC6A3), the sodium-dependent noradrenaline transporter (SLC6A2), and the 5-hydroxytryptamine receptor 1A (HTR1A).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₅H₂₉N₃O₈

Average Molecular Mass

499.520 g/mol

Monoisotopic Mass

499.195 g/mol

CAS Registry Number

1996626-29-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[H][C@@]1(CCCCN1C(=O)OC[N+]1=CC=CC(=C1)C(=O)N[C@@H](CO)C([O-])=O)[C@H](C(=O)OC)C1=CC=CC=C1

InChI Identifier

InChI=1S/C25H29N3O8/c1-35-24(33)21(17-8-3-2-4-9-17)20-11-5-6-13-28(20)25(34)36-16-27-12-7-10-18(14-27)22(30)26-19(15-29)23(31)32/h2-4,7-10,12,14,19-21,29H,5-6,11,13,15-16H2,1H3,(H-,26,30,31,32)/t19-,20+,21+/m0/s1

InChI Key

UBZPNQRBUOBBLN-PWRODBHTSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2811.0 Log mg/kg [1600:5000]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000378	Psychostimulants, agents used for adhd and nootropics?Psychostimulants, including agents commonly prescribed for Attention Deficit Hyperactivity Disorder (ADHD) and nootropics, are synthetic chemicals that enhance cognitive function, attention, and alertness.	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.304 Statistical Significance 0.01 Supporting Reference Compounds 109 E-value 78.1606
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.304 Statistical Significance 0.0066 Supporting Reference Compounds 98 E-value 51.1469
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P08483	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.304 Statistical Significance 0.0029 Supporting Reference Compounds 55 E-value 22.3427
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.304 Statistical Significance 0.0485 Supporting Reference Compounds 385 E-value 377.491
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.304 Statistical Significance 0.0317 Supporting Reference Compounds 266 E-value 247.093
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.304 Statistical Significance 0.0353 Supporting Reference Compounds 310 E-value 274.886
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.304 Statistical Significance 0.0466 Supporting Reference Compounds 373 E-value 363.167
Click to view 3D structure	Chromobox protein homolog 5	P45973	Humans	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.28 Low confidence Statistical Significance 0.009 Supporting Reference Compounds 1 E-value 70.0643
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.304 Statistical Significance 0.0464 Supporting Reference Compounds 297 E-value 361.61
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.365 Statistical Significance 0.0379 Supporting Reference Compounds 203 E-value 294.893
Click to view 3D structure	Chromobox protein homolog 8	Q9HC52	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.28 Low confidence Statistical Significance 0.0123 Supporting Reference Compounds 12 E-value 95.7545
Click to view 3D structure	Chromodomain Y-like protein 2	Q8N8U2	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.286 Low confidence Statistical Significance 0.0127 Supporting Reference Compounds 13 E-value 98.7907
Click to view 3D structure	Angiotensin-converting enzyme	P12821	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.322 Statistical Significance 0.0363 Supporting Reference Compounds 46 E-value 282.671
Click to view 3D structure	Chromobox protein homolog 7	O95931	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.28 Low confidence Statistical Significance 0.0201 Supporting Reference Compounds 25 E-value 156.866
Click to view 3D structure	Interleukin-2 receptor subunit alpha	P01589	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.265 Low confidence Statistical Significance 0.0069 Supporting Reference Compounds 1 E-value 53.8717
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.365 Statistical Significance 0.1119 Supporting Reference Compounds 506 E-value 870.821
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08485	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.304 Statistical Significance 0.0036 Supporting Reference Compounds 38 E-value 27.7922
Click to view 3D structure	E3 SUMO-protein ligase CBX4	O00257	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.28 Low confidence Statistical Significance 0.0145 Supporting Reference Compounds 9 E-value 113.271
Click to view 3D structure	Muscarinic receptor 4	Q8VH25	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.259 Low confidence Statistical Significance 6.80e-04 Supporting Reference Compounds 1 E-value 5.29375
Click to view 3D structure	Prolyl endopeptidase	P27028	Elizabethkingia meningoseptica	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.259 Low confidence Statistical Significance 0.0062 Supporting Reference Compounds 1 E-value 48.5779
Click to view 3D structure	Norepinephrine transporter	Q9WTR4	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.365 Statistical Significance 0.028 Supporting Reference Compounds 112 E-value 218.134
Click to view 3D structure	Cathepsin K	P43235	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.305 Statistical Significance 0.056 Supporting Reference Compounds 129 E-value 436.033
Click to view 3D structure	Cathepsin S	P25774	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.305 Statistical Significance 0.0592 Supporting Reference Compounds 141 E-value 461.179
Click to view 3D structure	Prolyl endopeptidase	Q9XTA2	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.284 Low confidence Statistical Significance 0.0073 Supporting Reference Compounds 4 E-value 56.9078
Click to view 3D structure	Mu-type opioid receptor	P33535	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.281 Low confidence Statistical Significance 0.0812 Supporting Reference Compounds 229 E-value 631.902