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Compound Detail

CHEMBL3924987

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CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2cccc(C(=O)O)c2)cc1

Basic Information

ChEMBL ID CHEMBL3924987
Phase Preclinical
Structure Type MOL
InChI Key MVXIIKRUEDTRBN-WTQRLHSKSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
4.71
ALogP
4
HBA
2
HBD
87.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31NO5
MW 425.53
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.14

Activity Summary

EC50 2 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin E2 receptor EP2 subtype
CHEMBL1881
EC50 6.29 6.29 517.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine