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Compound Detail

CHEMBL560639

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CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1(C)CCCCC1)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL560639
Phase Preclinical
Structure Type MOL
InChI Key ZQOUALBOWCUPNC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

563.8
MW (Da)
7.41
ALogP
6
HBA
0
HBD
77.0
PSA (Ų)
0.06
QED
2
Ro5 Violations
27
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H62NO6P
MW 563.80
Aromatic Rings 0
Heavy Atoms 38
NP-Likeness 0.34

Activity Summary

EC50 2 meas. best 5.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leishmania donovani
CHEMBL367
 EC50 5.78 5.765 1680.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leishmania donovani EC50 = 1680.0 nM 5.78 Antileishmanial activity against intracellular Leishmania donovani MHOM/ET/67/HU... 17908944
Leishmania donovani EC50 = 1790.0 nM 5.75 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 4

Data from ChEMBL 36 via Core Engine