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Compound Detail

CHEMBL493081

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COc1cccc(Cc2cc3ccccc3cc2-c2cccnc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL493081
Phase Preclinical
Structure Type MOL
InChI Key XLDJQLVQCHGYLP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
5.50
ALogP
2
HBA
0
HBD
22.1
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19NO
MW 325.41
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.31

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