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Compound Detail

CHEMBL1734603

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COC(=O)c1cnn(-c2ccc(Cl)cc2)c1/C=N/NC(N)=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1734603
Phase Preclinical
Structure Type MOL
InChI Key HHYLDEGKQSHYNO-FRKPEAEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

337.8
MW (Da)
1.48
ALogP
6
HBA
2
HBD
94.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12ClN5O2S
MW 337.79
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.07

Activity Summary

IC50 1 meas. best 5.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 35
CHEMBL1293267
 IC50 5.34 5.34 4600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
G-protein coupled receptor 35 IC50 = 4600.0 nM 5.34 PUBCHEM_BIOASSAY: SAR analysis of Antagonists of the GPR35 Receptor using an Ima... -

Data from ChEMBL 36 via Core Engine