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Compound Detail

CHEMBL3905811

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CC(C)C(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1

Basic Information

ChEMBL ID CHEMBL3905811
Phase Preclinical
Structure Type MOL
InChI Key RIHOLXRQBXNRMS-QRIPLOBPSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
3.38
ALogP
5
HBA
2
HBD
100.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25NO6
MW 387.43
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.25

Activity Summary

EC50 4 meas. best 5.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin E2 receptor EP2 subtype
CHEMBL1881
EC50 5.91 5.515 1218.0 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine