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Compound Detail

CHEMBL332966

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

Basic Information

ChEMBL ID CHEMBL332966
Phase Preclinical
Structure Type MOL
InChI Key BEJVKSBVSJTWHG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

478.7
MW (Da)
7.36
ALogP
3
HBA
2
HBD
75.0
PSA (Ų)
0.18
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 C28H38N4OS
MW 478.71
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol O-acyltransferase 1
CHEMBL285
IC50 6.04 6.04 910.0 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