Omidenepag isopropyl (CED0016887)

Record Information

Version

1.0

Creation Date

2026-04-14 20:05:10 UTC

Update Date

2026-08-22 06:27:23 UTC

SynCED ID

CED0016887

Secondary Accession Numbers

CHEM132779

Identification

Common Name

Omidenepag isopropyl

Class

Small Molecule

Description

Omidenepag isopropyl is an organic compound with the formula C26H28N6O4S. Omidenepag isopropyl belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 520.61 g/mol, Omidenepag isopropyl is a heavy molecule. This compound is recorded as a source in healthcare, pharmaceuticals, and veterinary products, specifically within gynecologicals, and has a recorded ophthalmic exposure route. Regarding its biological activity, Omidenepag isopropyl acts on two recorded protein targets, serving as an agonist of the Prostaglandin E2 receptor EP2 subtype (PTGER2) and the Prostaglandin E2 receptor EP1 subtype (PTGER1).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₆H₂₈N₆O₄S

Average Molecular Mass

520.610 g/mol

Monoisotopic Mass

520.189 g/mol

CAS Registry Number

1187451-19-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)OC(=O)CNC1=CC=CC(CN(CC2=CC=C(C=C2)N2C=CC=N2)S(=O)(=O)C2=CC=CN=C2)=N1

InChI Identifier

InChI=1S/C26H28N6O4S/c1-20(2)36-26(33)17-28-25-8-3-6-22(30-25)19-31(37(34,35)24-7-4-13-27-16-24)18-21-9-11-23(12-10-21)32-15-5-14-29-32/h3-16,20H,17-19H2,1-2H3,(H,28,30)

InChI Key

VIQCWEGEHRBLAC-UHFFFAOYSA-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
2662.0 Log mg/kg [1500:4700]	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
ocular hypertension	Not Available	Not Available	An eye disease that is characterized by elevated intraocular pressure in the absence of optic nerve damage or visual field loss. (DO)	PMC10180415
open-angle glaucoma	Not Available	Not Available	Not Available	PMC10180415

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000316	Gynecologicals?Gynecologicals encompass a range of synthetic chemicals used in the treatment of various women's health issues, including hormonal therapies, contraceptives, and antifungal agents.	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	Prostaglandin E2 receptor EP2 subtype	P43116	Humans	Predicted (SEA)	Prediction Confidence Score 0.315 Applicability Domain 0.587 Statistical Significance 0.0026 Supporting Reference Compounds 95 E-value 20.0072
Click to view 3D structure	Aquaporin-9	Q9JJJ3	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.303 Statistical Significance 0.0017 Supporting Reference Compounds 1 E-value 13.2344
Click to view 3D structure	Aquaporin-3	Q8R2N1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.303 Statistical Significance 0.0017 Supporting Reference Compounds 1 E-value 13.2344
Click to view 3D structure	Disintegrin and metalloproteinase domain-containing protein 17	P78536	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.293 Low confidence Statistical Significance 0.0444 Supporting Reference Compounds 166 E-value 345.495
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.293 Low confidence Statistical Significance 0.0884 Supporting Reference Compounds 269 E-value 688.499
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.293 Low confidence Statistical Significance 0.1182 Supporting Reference Compounds 400 E-value 920.333
Click to view 3D structure	Disintegrin and metalloproteinase domain-containing protein 10	O14672	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.293 Low confidence Statistical Significance 0.0091 Supporting Reference Compounds 37 E-value 70.8428
Click to view 3D structure	Matrix metalloproteinase-14	P50281	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.293 Low confidence Statistical Significance 0.0821 Supporting Reference Compounds 198 E-value 639.453
Click to view 3D structure	Stromelysin-1	P08254	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.293 Low confidence Statistical Significance 0.093 Supporting Reference Compounds 200 E-value 723.842
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.293 Low confidence Statistical Significance 0.1349 Supporting Reference Compounds 292 E-value 1050.26
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.293 Low confidence Statistical Significance 0.1671 Supporting Reference Compounds 472 E-value 1300.63
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.293 Low confidence Statistical Significance 0.1184 Supporting Reference Compounds 258 E-value 921.423
Click to view 3D structure	Neutrophil collagenase	P22894	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.293 Low confidence Statistical Significance 0.0939 Supporting Reference Compounds 176 E-value 730.771
Click to view 3D structure	Matrix metalloproteinase-9	P41245	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.293 Low confidence Statistical Significance 0.0042 Supporting Reference Compounds 2 E-value 32.4631
Click to view 3D structure	72 kDa type IV collagenase	P33434	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.293 Low confidence Statistical Significance 0.0042 Supporting Reference Compounds 2 E-value 32.4631
Click to view 3D structure	Macrophage metalloelastase	P34960	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.293 Low confidence Statistical Significance 0.0121 Supporting Reference Compounds 8 E-value 94.3533
Click to view 3D structure	P2X purinoceptor	A9QW74	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.243 Low confidence Statistical Significance 0.0033 Supporting Reference Compounds 1 E-value 25.5345
Click to view 3D structure	P2X7 purinoceptor	Q64F92	Canis lupus familiaris	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.243 Low confidence Statistical Significance 0.0033 Supporting Reference Compounds 1 E-value 25.5345
Click to view 3D structure	Calcium/calmodulin-dependent protein kinase type II subunit beta	P08413	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.243 Low confidence Statistical Significance 0.0033 Supporting Reference Compounds 1 E-value 25.5345
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.257 Low confidence Statistical Significance 0.6397 Supporting Reference Compounds 1538 E-value 4980.4
Click to view 3D structure	Prostaglandin E2 receptor EP3 subtype	P43115	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.419 Statistical Significance 0.0682 Supporting Reference Compounds 102 E-value 531.01
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.293 Low confidence Statistical Significance 0.2046 Supporting Reference Compounds 372 E-value 1592.95
Click to view 3D structure	Prostacyclin receptor	P43119	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.419 Statistical Significance 0.0377 Supporting Reference Compounds 63 E-value 293.725
Click to view 3D structure	Matrilysin	P09237	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.293 Low confidence Statistical Significance 0.1229 Supporting Reference Compounds 105 E-value 956.456
Click to view 3D structure	Peptidyl-prolyl cis-trans isomerase	Q63J95	Burkholderia pseudomallei (strain K96243)	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.234 Low confidence Statistical Significance 0.0175 Supporting Reference Compounds 1 E-value 136.548