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Compound Detail

CHEMBL1095664

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C[N+](C)(CCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O.[Br-].[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1095664
Phase Preclinical
Structure Type MOL
InChI Key BRGSDUKZRDSXOI-UHFFFAOYSA-L
Parent Compound CHEMBL1199096
Active Moiety CHEMBL1199096
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

620.8
MW (Da)
5.60
ALogP
4
HBA
0
HBD
74.8
PSA (Ų)
0.11
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H44Br2N4O4
MW 780.60
Aromatic Rings 4
Heavy Atoms 46
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
20382538 10.1016/j.bmc.2010.03.067 Plasmodium falciparum 1
20382538 10.1016/j.bmc.2010.03.067 ADMET 1

Data from ChEMBL 36 via Core Engine