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Compound Detail

CHEMBL262010

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CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)OC(c1ccccc1)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL262010
Phase Preclinical
Structure Type MOL
InChI Key HJYXABFFPORLOH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

430.6
MW (Da)
5.99
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N2O3
MW 430.55
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.77

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