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Compound Detail

CHEMBL495140

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COc1ccc(C(=O)c2cc3ccc(OC)cc3cc2-c2cccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL495140
Phase Preclinical
Structure Type MOL
InChI Key JJYZPQPWGFYPLY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
5.15
ALogP
4
HBA
0
HBD
48.4
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19NO3
MW 369.42
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
18763754 10.1021/jm800683c Cytochrome P450 11B2, mitochondrial 2
18763754 10.1021/jm800683c Cytochrome P450 11B1, mitochondrial 1

Data from ChEMBL 36 via Core Engine