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Compound Detail

CHEMBL332967

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CCCCCCCN(CCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NC

Basic Information

ChEMBL ID CHEMBL332967
Phase Preclinical
Structure Type MOL
InChI Key KTGJZMREBBXYEK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

492.7
MW (Da)
7.62
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.17
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H40N4OS
MW 492.73
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.97

Activity Summary

IC50 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol O-acyltransferase 1
CHEMBL285
IC50 7.4 7.4 40.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7932580 10.1021/jm00047a009 Sterol O-acyltransferase 1 1

Data from ChEMBL 36 via Core Engine