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Compound Detail

CHEMBL4580463

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CCOC(=O)c1c(C)cc(OCCCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1O.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4580463
Phase Preclinical
Structure Type MOL
InChI Key QBPXHYXAIDZIEV-UHFFFAOYSA-N
Parent Compound CHEMBL4596525
Active Moiety CHEMBL4596525
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

653.9
MW (Da)
9.93
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.06
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H54BrO4P
MW 733.77
Aromatic Rings 4
Heavy Atoms 47
NP-Likeness 0.08

Literature References

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

Data from ChEMBL 36 via Core Engine