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Compound Detail

CHEMBL303527

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O=C(Nc1ccc(F)cc1F)Nc1cnc2ccc(Cl)cc2c1-c1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL303527
Phase Preclinical
Structure Type MOL
InChI Key PWAPFWGSOGTQNG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

444.3
MW (Da)
7.13
ALogP
2
HBA
2
HBD
54.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H13Cl2F2N3O
MW 444.27
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.67

Activity Summary

IC50 1 meas. best 7.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol O-acyltransferase 1
CHEMBL285
 IC50 7.04 7.04 90.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sterol O-acyltransferase 1 IC50 = 90.6 nM 7.04 Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat m... 8027989

Literature References

PubMed DOI Target Context # Activities
8027989 10.1021/jm00039a020 Sterol O-acyltransferase 1 2

Data from ChEMBL 36 via Core Engine