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Compound Detail

CHEMBL4091740

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Clc1nnc(N/N=C/c2ccco2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4091740
Phase Preclinical
Structure Type MOL
InChI Key PVBWVUCRTPHLOM-OVCLIPMQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.7
MW (Da)
3.32
ALogP
5
HBA
1
HBD
63.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9ClN4O
MW 272.70
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
28119201 10.1016/j.ejmech.2017.01.022 Leishmania braziliensis 2

Data from ChEMBL 36 via Core Engine