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Compound Detail

CHEMBL5836901

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Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(SCC(=O)O)c1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5836901
Phase Preclinical
Structure Type MOL
InChI Key ZXIWBUUBMSPRTP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

569.9
MW (Da)
6.92
ALogP
4
HBA
2
HBD
79.3
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22BrClN2O3S
MW 569.91
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin F2-alpha receptor
CHEMBL1987
 IC50 8.1 8.1 7.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin F2-alpha receptor IC50 = 7.9 nM 8.1 In Vitro Test of Inhibition of Human FP Receptor Activity: For the characterizat... -

Data from ChEMBL 36 via Core Engine