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Compound Detail

CHEMBL281144

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CCCOCCCCCCOc1ccc(C(=O)Nc2c(C)cc(C)c3c2OC(C)(C)C3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL281144
Phase Preclinical
Structure Type MOL
InChI Key VRKDKUGWQZIWGZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.6
MW (Da)
6.64
ALogP
4
HBA
1
HBD
56.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H39NO4
MW 453.62
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
8632433 10.1021/jm950828+ Acyl-CoA:cholesterol acyltransferase 1

Data from ChEMBL 36 via Core Engine