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Compound Detail

CHEMBL3898609

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Cc1ccc(S(=O)(=O)N(CC(C)C)c2cc(C)c(C)cc2OCc2ccc(C(=O)O)cc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3898609
Phase Preclinical
Structure Type MOL
InChI Key WKCKMAMRSRYIMH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
5.33
ALogP
5
HBA
1
HBD
97.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29NO6S
MW 471.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.85

Activity Summary

IC50 1 meas. best 8.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin E2 receptor EP1 subtype
CHEMBL2181
 IC50 8.14 8.14 7.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin E2 receptor EP1 subtype IC50 = 7.2 nM 8.14 Inhibition Assay: The cells expressing mouse EP1 receptor were seeded at 104 cel... -

Data from ChEMBL 36 via Core Engine