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Compound Detail

CHEMBL5417989

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N=C(Nc1ccc(NC(=O)c2ccc(N)cc2)nc1)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5417989
Phase Preclinical
Structure Type MOL
InChI Key HAEJTWBJOHHLAT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
2.75
ALogP
5
HBA
4
HBD
116.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N6O
MW 332.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
37729094 10.1021/acs.jmedchem.3c00697 Unchecked 1
37729094 10.1021/acs.jmedchem.3c00697 Trypanosoma cruzi 1
37729094 10.1021/acs.jmedchem.3c00697 L929 1
37729094 10.1021/acs.jmedchem.3c00697 Leishmania donovani 1
37729094 10.1021/acs.jmedchem.3c00697 THP-1 1
37729094 10.1021/acs.jmedchem.3c00697 Trichomonas vaginalis 1

Data from ChEMBL 36 via Core Engine