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Compound Detail

CHEMBL3934202

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O=C(O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(CO)cc2)[C@H](O)C[C@H]1Cl

Basic Information

ChEMBL ID CHEMBL3934202
Phase Preclinical
Structure Type MOL
InChI Key SERARKCJMHKXJN-MLMRMRFMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.9
MW (Da)
3.45
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.38
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 C19H25ClO4
MW 352.86
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.50

Activity Summary

IC50 1 meas. best 4.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin E2 receptor EP2 subtype
CHEMBL1881
IC50 4.88 4.88 13150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine