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Compound Detail

CHEMBL101883

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CCCCCCCCCCCCn1nnc(C(NC(=O)c2cccc(Cl)c2)c2ccccc2)n1

Basic Information

ChEMBL ID CHEMBL101883
Phase Preclinical
Structure Type MOL
InChI Key QZSVSHBIKTXRRA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

482.1
MW (Da)
6.77
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.24
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 C27H36ClN5O
MW 482.07
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.37

Activity Summary

IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol O-acyltransferase 1
CHEMBL285
IC50 6.6 6.6 250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sterol O-acyltransferase 1 IC50 = 250.0 nM 6.6 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