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Compound Detail

CHEMBL2313275

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CC(=O)c1cccc(/C=C/c2cc3c(c(=O)n(C)c(=O)n3C)n2C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2313275
Phase Preclinical
Structure Type MOL
InChI Key SBMBBLQOHZUCCG-CMDGGOBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
1.95
ALogP
6
HBA
0
HBD
66.0
PSA (Ų)
0.69
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 C19H19N3O3
MW 337.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
23281824 10.1021/jm301686s Amine oxidase [flavin-containing] B 1
23281824 10.1021/jm301686s Adenosine receptor A2a 1

Data from ChEMBL 36 via Core Engine