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Compound Detail

CHEMBL156822

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COc1ccc2[nH]cc(CC(=O)Nc3ccncc3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL156822
Phase Preclinical
Structure Type MOL
InChI Key CCWQCCIJGUEHSX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
2.75
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O2
MW 281.32
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
10052971 10.1021/jm981079+ Mus musculus 2
10052971 10.1021/jm981079+ Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine