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Compound Detail

CHEMBL122927

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Nc1ncnc2nccc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL122927
Phase Preclinical
Structure Type MOL
InChI Key BGXMRRHONOWTLI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

162.2
MW (Da)
0.31
ALogP
5
HBA
2
HBD
84.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H6N4O
MW 162.15
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness 0.30

Literature References

PubMed DOI Target Context # Activities
11020285 10.1021/jm000073t NON-PROTEIN TARGET 2
11020285 10.1021/jm000073t B16 1
25437144 10.1021/jm501597j TGF-beta receptor type-1 1

Data from ChEMBL 36 via Core Engine