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Compound Detail

CHEMBL1490312

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CN1C(=O)/C(=C\c2ccc(N(C)C)cc2)OC1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1490312
Phase Preclinical
Structure Type MOL
InChI Key OWEKIJTVEPVMLJ-DHZHZOJOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
1.87
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N2O2S
MW 262.33
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 5.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 35
CHEMBL1293267
 IC50 5.95 5.95 1122.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
G-protein coupled receptor 35 IC50 = 1122.06 nM 5.95 PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... -

Data from ChEMBL 36 via Core Engine