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Compound Detail

CHEMBL1452186

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Cn1cccc1/C=C1\C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1452186
Phase Preclinical
Structure Type MOL
InChI Key OCLFLRLSJRUZLN-UKTHLTGXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

343.8
MW (Da)
2.34
ALogP
4
HBA
1
HBD
71.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14ClN3O3
MW 343.77
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.86

Activity Summary

IC50 1 meas. best 6.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 55
CHEMBL1075322
 IC50 6.01 6.01 978.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
G-protein coupled receptor 55 IC50 = 978.34 nM 6.01 PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... -

Data from ChEMBL 36 via Core Engine