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Compound Detail

CHEMBL3760036

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COc1cc(OC)c(Nc2ncnc3ccc([N+](=O)[O-])cc23)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3760036
Phase Preclinical
Structure Type MOL
InChI Key RWKUXLBKUXWIBS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.8
MW (Da)
3.95
ALogP
7
HBA
1
HBD
99.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13ClN4O4
MW 360.76
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
26619389 10.1016/j.ejmech.2015.11.016 Leishmania major 1

Data from ChEMBL 36 via Core Engine