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Compound Detail

CHEMBL2312983

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CCn1c(/C=C/c2ccc(Cl)cc2)cc2c1c(=O)n(C)c(=O)n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2312983
Phase Preclinical
Structure Type MOL
InChI Key HXLLLERSRXPRGW-JXMROGBWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.8
MW (Da)
2.88
ALogP
5
HBA
0
HBD
48.9
PSA (Ų)
0.73
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 C18H18ClN3O2
MW 343.81
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.85

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