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Compound Detail

CHEMBL1390516

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O=C(/C=C/c1ccc(Cl)cc1)c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1390516
Phase Preclinical
Structure Type MOL
InChI Key FSCXVFQUEGRJLW-VMPITWQZSA-N
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

243.7
MW (Da)
3.63
ALogP
2
HBA
0
HBD
30.0
PSA (Ų)
0.61
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 C14H10ClNO
MW 243.69
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.76

Activity Summary

EC50 2 meas. best 6.1
IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.1 5.93 793.0 2
Unchecked
CHEMBL612545
 IC50 5.7 5.7 2008.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 793.0 nM 6.1 PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... -
Unchecked EC50 = 1749.0 nM 5.76 PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... -
Unchecked IC50 = 2008.0 nM 5.7 PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... -

Data from ChEMBL 36 via Core Engine