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Compound Detail

CHEMBL596746

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C[P+](C)(C)Cc1ccc(C(=O)c2ccc(C[P+](C)(C)C)cc2)cc1.[Br-].[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL596746
Phase Preclinical
Structure Type MOL
InChI Key SMUKVJZDYUMEJZ-UHFFFAOYSA-L
Parent Compound CHEMBL1198127
Active Moiety CHEMBL1198127
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
5.73
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30Br2OP2
MW 520.23
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.07

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22390399 10.1021/jm2014259 Trypanosoma brucei brucei 3
22390399 10.1021/jm2014259 Unchecked 2
20128602 10.1021/jm901677h Leishmania donovani 1
20128602 10.1021/jm901677h Leishmania pifanoi 1
22390399 10.1021/jm2014259 Trypanosoma brucei rhodesiense 1
22390399 10.1021/jm2014259 L6 1
22390399 10.1021/jm2014259 ADMET 1

Data from ChEMBL 36 via Core Engine