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Compound Detail

CHEMBL1095665

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C[N+](C)(CCCCC[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 CHEMBL1095665
Phase Preclinical
Structure Type MOL
InChI Key LQBCHOVDQBABAQ-UHFFFAOYSA-L
Parent Compound CHEMBL1199097
Active Moiety CHEMBL1199097
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

634.8
MW (Da)
5.99
ALogP
4
HBA
0
HBD
74.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H46Br2N4O4
MW 794.63
Aromatic Rings 4
Heavy Atoms 47
NP-Likeness -0.14

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