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Compound Detail

CHEMBL560703

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CCCCCCCCCCCCCCCCOCCCOP(=O)([O-])OCC[N+](C)(C)C

Basic Information

ChEMBL ID CHEMBL560703
Phase Preclinical
Structure Type MOL
InChI Key BOWBQAQWKACKCF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

465.7
MW (Da)
6.08
ALogP
5
HBA
0
HBD
67.8
PSA (Ų)
0.10
QED
1
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H52NO5P
MW 465.66
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 0.31

Activity Summary

EC50 1 meas. best 5.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leishmania donovani
CHEMBL367
EC50 5.81 5.81 1550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leishmania donovani EC50 = 1550.0 nM 5.81 Antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 promastigote... 17908944

Literature References

PubMed DOI Target Context # Activities
17908944 10.1128/aac.00465-07 Leishmania donovani 2

Data from ChEMBL 36 via Core Engine