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Compound Detail

CHEMBL329129

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c1ccc(Nc2nccc(-c3ccccn3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL329129
Phase Preclinical
Structure Type MOL
InChI Key XVPSNAWTTUUDKF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
3.28
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.77
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 C15H12N4
MW 248.29
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
8410986 10.1021/jm00071a002 Homo sapiens 1
30091915 10.1021/acs.jmedchem.8b00669 Unchecked 1

Data from ChEMBL 36 via Core Engine