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Compound Detail

CHEMBL3890808

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CC(C)(C)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3890808
Phase Preclinical
Structure Type MOL
InChI Key NZCDHAXKMOJPJV-FUVOQIETSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

358.5
MW (Da)
4.22
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30O4
MW 358.48
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 1.06

Activity Summary

EC50 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin E2 receptor EP2 subtype
CHEMBL1881
 EC50 5.77 5.77 1709.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin E2 receptor EP2 subtype EC50 = 1709.0 nM 5.77 Agonist activity at human recombinant EP2 receptor expressed in HEK293 cells ass... -

Data from ChEMBL 36 via Core Engine