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Compound Detail

CHEMBL351272

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CCCCCCCCCCCCC(C)OC(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL351272
Phase Preclinical
Structure Type MOL
InChI Key ZAVZXDSKDPYPRI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

459.7
MW (Da)
8.50
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.14
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H49NO3
MW 459.72
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness -0.11

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00098-4 Rattus norvegicus 7
- 10.1016/0960-894X(96)00098-4 Acyl-CoA:cholesterol acyltransferase 1

Data from ChEMBL 36 via Core Engine