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Compound Detail

CHEMBL4070871

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COc1cc([N+](=O)[O-])ccc1/C=N/Nc1nnc(Cl)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4070871
Phase Preclinical
Structure Type MOL
InChI Key WBGWOQHOYSYZQX-GIJQJNRQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.8
MW (Da)
3.65
ALogP
7
HBA
1
HBD
102.5
PSA (Ų)
0.42
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 C16H12ClN5O3
MW 357.76
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.59

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