Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2313282

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cn1c(=O)c2c(cc(/C=C/c3ccc(O)cc3)n2C)n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2313282
Phase Preclinical
Structure Type MOL
InChI Key MNBZDXLGIKPYIT-QPJJXVBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
1.45
ALogP
6
HBA
1
HBD
69.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3O3
MW 311.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.14

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