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Compound Detail

CHEMBL557284

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CCCCCCCCC(Br)C(Br)CCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL557284
Phase Preclinical
Structure Type MOL
InChI Key RUUABZPZVNLUHZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

593.4
MW (Da)
7.20
ALogP
4
HBA
0
HBD
58.6
PSA (Ų)
0.06
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H48Br2NO4P
MW 593.42
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 0.53

Activity Summary

EC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leishmania donovani
CHEMBL367
 EC50 5.96 5.96 1090.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leishmania donovani EC50 = 1090.0 nM 5.96 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