Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL494714

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc(Cc2cc3ccc(OC)cc3cc2-c2cccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL494714
Phase Preclinical
Structure Type MOL
InChI Key ATIATLYZAUOIKD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
5.51
ALogP
3
HBA
0
HBD
31.4
PSA (Ų)
0.47
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 C24H21NO2
MW 355.44
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.16

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