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

CHEMBL390158

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
CCOP(=O)(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL390158
Phase Preclinical
Structure Type MOL
InChI Key GKKBZTZYOIDWDQ-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

472.9
MW (Da)
7.37
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30ClO4P
MW 472.95
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.24

Literature References

PubMed DOI Target Context # Activities
17489579 10.1021/jm0613323 KG-1 5
17489579 10.1021/jm0613323 MDA-MB-231 2
17489579 10.1021/jm0613323 NON-PROTEIN TARGET 2
17489579 10.1021/jm0613323 DU-145 2

Data from ChEMBL 36 via Core Engine