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

CHEMBL158041

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
Cn1c2c(c3ccccc31)CC/C2=N/Cc1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL158041
Phase Preclinical
Structure Type MOL
InChI Key WZUCBGIEQWSKJQ-SILNSSARSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

275.4
MW (Da)
3.51
ALogP
3
HBA
0
HBD
30.2
PSA (Ų)
0.70
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 C18H17N3
MW 275.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.37

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00072-8 Amine oxidase [flavin-containing] A 1
- 10.1016/0960-894X(96)00072-8 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine