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

CHEMBL353361

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
c1ccc2c(c1)-c1ccccc1C2Cc1nnn[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL353361
Phase Preclinical
Structure Type MOL
InChI Key GLRQSOKWHSQWBA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
2.55
ALogP
3
HBA
1
HBD
54.5
PSA (Ų)
0.76
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 C15H12N4
MW 248.29
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.03

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
8145228 10.1021/jm00032a011 Aldo-keto reductase family 1 member B1 1

Data from ChEMBL 36 via Core Engine