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Compound Detail

CHEMBL563646

EVATANEPAG
🧪 Phase II
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🧪 Phase II
CC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1

Basic Information

ChEMBL ID CHEMBL563646
Name EVATANEPAG
Phase Phase II
Structure Type MOL
InChI Key WOHRHWDYFNWPNG-UHFFFAOYSA-N

Known Names

CP-533,536 CP-533536 Evatanepag
2
Targets
4
Activities
3
Assay Types
2
PK Parameters
14
Publications
3
Known Names
1
Indications
1
Mechanisms

Molecular Properties

468.6
MW (Da)
4.23
ALogP
5
HBA
1
HBD
96.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -nepag
USAN Year 2009

Extended Properties

Molecular Formula C25H28N2O5S
MW 468.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.58

Mechanism of Action

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

Indications

Tibial Fractures

Activity Summary

EC50 2 meas. best 9.52
IC50 1 meas. best 7.3
Ki 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin E2 receptor EP2 subtype
CHEMBL4909
EC50 9.52 9.52 0.3 1
Prostaglandin E2 receptor EP2 subtype
CHEMBL1881
EC50 8.3 8.3 5.0 1
Prostaglandin E2 receptor EP2 subtype
CHEMBL1881
Ki 7.3 7.3 50.0 1
Prostaglandin E2 receptor EP2 subtype
CHEMBL4909
IC50 7.3 7.3 50.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 56.0 mL.min-1.kg-1 Rattus norvegicus
T1/2 0.33 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19250823 10.1016/j.bmcl.2009.01.059 Mus musculus 9
24279689 10.1021/jm401431x Unchecked 5
19250823 10.1016/j.bmcl.2009.01.059 Rattus norvegicus 3
19250823 10.1016/j.bmcl.2009.01.059 Prostaglandin E2 receptor EP2 subtype 2
24279689 10.1021/jm401431x Prostaglandin E2 receptor EP2 subtype 2
24279689 10.1021/jm401431x Prostacyclin receptor 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
19250823 10.1016/j.bmcl.2009.01.059 Prostaglandin E2 receptor EP4 subtype 1
24279689 10.1021/jm401431x Prostaglandin E2 receptor EP1 subtype 1
24279689 10.1021/jm401431x Prostaglandin E2 receptor EP3 subtype 1
24279689 10.1021/jm401431x Prostaglandin E2 receptor EP4 subtype 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine