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Compound Detail

CHEMBL1453396

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Oc1cc(CCl)nc(Cc2c(Cl)cccc2Cl)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1453396
Phase Preclinical
Structure Type MOL
InChI Key SGBJDXQVWTUNJO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

303.6
MW (Da)
3.82
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.88
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 C12H9Cl3N2O
MW 303.58
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.29 6.29 510.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 510.0 nM 6.29 PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... -

Data from ChEMBL 36 via Core Engine