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Compound Detail

CHEMBL1704074

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COC(=O)c1cnn(-c2ccccc2)c1/C=N/NC(=S)Nc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1704074
Phase Preclinical
Structure Type MOL
InChI Key QPIZDCSLLOXNMH-CIAFOILYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.9
MW (Da)
3.63
ALogP
6
HBA
2
HBD
80.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16ClN5O2S
MW 413.89
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.08

Activity Summary

IC50 1 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 35
CHEMBL1293267
 IC50 6.5 6.5 319.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
G-protein coupled receptor 35 IC50 = 319.0 nM 6.5 PUBCHEM_BIOASSAY: SAR analysis of Antagonists of the GPR35 Receptor using an Ima... -

Data from ChEMBL 36 via Core Engine