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

CHEMBL4467808

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
O=C(O)c1ccc(OCCCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1O.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4467808
Phase Preclinical
Structure Type MOL
InChI Key YJGXGUXTKJVKPF-UHFFFAOYSA-N
Parent Compound CHEMBL4596591
Active Moiety CHEMBL4596591
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

611.8
MW (Da)
9.14
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.08
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H48BrO4P
MW 691.69
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
31702921 10.1021/acs.jmedchem.9b00998 Leishmania donovani 2
31702921 10.1021/acs.jmedchem.9b00998 Unchecked 1

Data from ChEMBL 36 via Core Engine