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Compound Detail

CHEMBL316471

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CCCCCCCCCCCCn1nnnc1C(NC(=O)c1ccc(F)cc1F)c1ccccc1

Basic Information

ChEMBL ID CHEMBL316471
Phase Preclinical
Structure Type MOL
InChI Key LGZBUJYUWREYEP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

483.6
MW (Da)
6.39
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.25
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 C27H35F2N5O
MW 483.61
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.78

Activity Summary

IC50 1 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol O-acyltransferase 1
CHEMBL285
IC50 6.42 6.42 380.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sterol O-acyltransferase 1 IC50 = 380.0 nM 6.42 Concentration required for the in vitro inhibition of Acyl coenzyme A:cholestero... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00024-N Sterol O-acyltransferase 1 1
- 10.1016/0960-894X(95)00024-N Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine