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Compound Detail

CHEMBL23782

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Cc1cc(C)c(NC(=O)C(C)(C)CCCCCCN2CCCCC2)c2c1CC(C)(C)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL23782
Phase Preclinical
Structure Type MOL
InChI Key ONCMLZSYEBMPOM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.7
MW (Da)
6.42
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H44N2O2
MW 428.66
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.47

Literature References

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

Data from ChEMBL 36 via Core Engine