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Compound Detail

CHEMBL3707245

OMIDENEPAG
🧪 Phase II
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🧪 Phase II
O=C(O)CNc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3707245
Name OMIDENEPAG
Phase Phase II
Structure Type MOL
InChI Key YHGSTSNEOJUIRN-UHFFFAOYSA-N

Known Names

Omidenepag UR-7276
3
Targets
7
Activities
3
Assay Types
1
PK Parameters
16
Publications
2
Known Names
1
Indications
1
Mechanisms

Molecular Properties

478.5
MW (Da)
2.55
ALogP
8
HBA
2
HBD
130.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -nepag
USAN Year 2015

Extended Properties

Molecular Formula C23H22N6O4S
MW 478.53
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -2.21

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Prostanoid EP2 receptor agonist AGONIST Prostaglandin E2 receptor EP2 subtype ✓ ✓

Indications

Glaucoma

ATC Classification

S01EX06
omidenepag
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS

Activity Summary

EC50 4 meas. best 8.96
IC50 2 meas. best 8.0
Ki 1 meas. best 8.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin E2 receptor EP2 subtype
CHEMBL1881
 EC50 8.96 8.96 1.1 3
Prostaglandin E2 receptor EP2 subtype
CHEMBL1881
 Ki 8.44 8.44 3.6 1
Rhesus monkey
CHEMBL614875
 EC50 8.08 8.08 8.3 1
Prostaglandin E2 receptor EP2 subtype
CHEMBL1881
 IC50 8.0 8.0 10.0 1
Prostaglandin E2 receptor EP4 subtype
CHEMBL1836
 IC50 5.26 5.26 5480.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.5 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin E2 receptor EP2 subtype EC50 = 1.1 nM 8.96 Agonist activity at recombinant human EP2 receptor expressed in HEK293 cells ass... 29995405
Prostaglandin E2 receptor EP2 subtype EC50 = 1.1 nM 8.96 Agonist activity at human EP2 receptor expressed in HEK293 cells 39137454
Prostaglandin E2 receptor EP2 subtype EC50 = 1.1 nM 8.96 Agonist activity at human EP2 receptor 39137454
Prostaglandin E2 receptor EP2 subtype Ki = 3.6 nM 8.44 Binding affinity to EP2 (unknown origin) assessed as inhibition constant 34536672
Rhesus monkey EC50 = 8.3 nM 8.08 Antiglaucoma activity in ocular hypersensitive monkey assessed as reduction in i... 34536672
Prostaglandin E2 receptor EP2 subtype IC50 = 10.0 nM 8.0 Displacement of [3H]prostaglandin E2 from human EP2 receptor expressed in HEK293... 29995405
Prostaglandin E2 receptor EP4 subtype IC50 = 5480.0 nM 5.26 Displacement of [3H]prostaglandin E2 from recombinant human full length EP4 rece... 29995405

Literature References

PubMed DOI Target Context # Activities
29995405 10.1021/acs.jmedchem.8b00808 Prostaglandin E2 receptor EP2 subtype 3
29995405 10.1021/acs.jmedchem.8b00808 ADMET 3
29995405 10.1021/acs.jmedchem.8b00808 Cytochrome P450 3A4 2
29995405 10.1021/acs.jmedchem.8b00808 Cytochrome P450 1A2 2
39137454 10.1016/j.ejmech.2024.116759 Prostaglandin E2 receptor EP2 subtype 2
29995405 10.1021/acs.jmedchem.8b00808 Prostaglandin E2 receptor EP1 subtype 1
29995405 10.1021/acs.jmedchem.8b00808 Prostaglandin E2 receptor EP3 subtype 1
29995405 10.1021/acs.jmedchem.8b00808 Prostaglandin E2 receptor EP4 subtype 1
29995405 10.1021/acs.jmedchem.8b00808 No relevant target 1
29995405 10.1021/acs.jmedchem.8b00808 Cytochrome P450 2D6 1
29995405 10.1021/acs.jmedchem.8b00808 Cytochrome P450 2C9 1
29995405 10.1021/acs.jmedchem.8b00808 Cytochrome P450 2C19 1
29995405 10.1021/acs.jmedchem.8b00808 Cynomolgus monkey 1
34536672 10.1016/j.ejmech.2021.113842 Prostaglandin E2 receptor EP2 subtype 1
34536672 10.1016/j.ejmech.2021.113842 Rhesus monkey 1
34536672 10.1016/j.ejmech.2021.113842 ADMET 1

Data from ChEMBL 36 via Core Engine