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Compound Detail

CHEMBL252153

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Nc1ccc(C(=O)N/N=C/c2ccccn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL252153
Phase Preclinical
Structure Type MOL
InChI Key XSICXHHIZPFXFN-CXUHLZMHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
1.43
ALogP
4
HBA
2
HBD
80.4
PSA (Ų)
0.48
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 C13H12N4O
MW 240.27
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.87

Literature References

PubMed DOI Target Context # Activities
18159922 10.1021/jm7012562 ADMET 1

Data from ChEMBL 36 via Core Engine