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Compound Detail

CHEMBL119272

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

Basic Information

ChEMBL ID CHEMBL119272
Phase Preclinical
Structure Type MOL
InChI Key OVJQVQPFBCAHFY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

505.8
MW (Da)
8.46
ALogP
3
HBA
1
HBD
49.0
PSA (Ų)
0.16
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H43N3OS
MW 505.77
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol O-acyltransferase 1
CHEMBL285
IC50 7.0 7.0 100.0 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