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Compound Detail

CHEMBL4176783

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[N-]=[N+]=NCC(=O)N(CCCCNC(=O)c1cc(Br)c(Br)[nH]1)CCCNC(=O)c1cc(Br)c(Br)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4176783
Phase Preclinical
Structure Type MOL
InChI Key NQDVOLZWEPPSLW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

730.0
MW (Da)
4.86
ALogP
4
HBA
4
HBD
158.8
PSA (Ų)
0.10
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H22Br4N8O3
MW 730.05
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.18

Literature References

PubMed DOI Target Context # Activities
29297684 10.1021/acs.jnatprod.7b00876 Leishmania infantum 1
29297684 10.1021/acs.jnatprod.7b00876 Leishmania amazonensis 1
29297684 10.1021/acs.jnatprod.7b00876 Trypanosoma cruzi 1
29297684 10.1021/acs.jnatprod.7b00876 Plasmodium falciparum 1
29297684 10.1021/acs.jnatprod.7b00876 HepG2 1
29297684 10.1021/acs.jnatprod.7b00876 Unchecked 1
29297684 10.1021/acs.jnatprod.7b00876 BMDM 1

Data from ChEMBL 36 via Core Engine