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Compound Detail

CHEMBL163208

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CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL163208
Phase Preclinical
Structure Type MOL
InChI Key VORVUSZXFBYJSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
3.35
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21NO3
MW 263.34
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.44

Literature References

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

Data from ChEMBL 36 via Core Engine