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Compound Detail

CHEMBL4160976

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

Basic Information

ChEMBL ID CHEMBL4160976
Phase Preclinical
Structure Type MOL
InChI Key BRSLYNHUMOFJEY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

469.2
MW (Da)
3.88
ALogP
3
HBA
5
HBD
101.8
PSA (Ų)
0.32
QED
0
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 C17H21Cl4N5O2
MW 469.20
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.45

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