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Compound Detail

CHEMBL4065199

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O=[N+]([O-])c1ccc(C=NNc2nnc(Cl)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4065199
Phase Preclinical
Structure Type MOL
InChI Key KVFYNPRTDIOTAX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.7
MW (Da)
3.64
ALogP
6
HBA
1
HBD
93.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10ClN5O2
MW 327.73
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.69

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