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Compound Detail

CHEMBL4173427

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O=C(NCCCCCCCCNC(=O)c1cc(Br)c(Br)[nH]1)c1cc(Br)c(Br)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4173427
Phase Preclinical
Structure Type MOL
InChI Key CHEFACJBPCDDRO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

646.0
MW (Da)
5.89
ALogP
2
HBA
4
HBD
89.8
PSA (Ų)
0.23
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H22Br4N4O2
MW 646.02
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.07

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