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

CHEMBL121215

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
CC(=O)n1nc2c(=O)n(C)c3cc(C)c(C)cc3n2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL121215
Phase Preclinical
Structure Type MOL
InChI Key UQHLBBZPGRSKOS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
0.62
ALogP
7
HBA
0
HBD
78.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N4O3
MW 286.29
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.84

Activity Summary

IC50 1 meas. best 4.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 IC50 4.37 4.37 43000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 43000.0 nM 4.37 Concentration required to inhibit Antigen-induced release of Histamine from rat ... 2579236

Literature References

PubMed DOI Target Context # Activities
2579236 10.1021/jm00381a016 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine