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Compound Detail

CHEMBL4454136

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COc1cccc(-c2cc(N)n[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4454136
Phase Preclinical
Structure Type MOL
InChI Key KTRHWGYZQAKQQQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

189.2
MW (Da)
1.67
ALogP
3
HBA
2
HBD
63.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H11N3O
MW 189.22
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
31282680 10.1021/acs.jmedchem.9b00809 Unchecked 2

Data from ChEMBL 36 via Core Engine