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

CHEMBL230051

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
NC(=O)c1cnn2c1NC(c1ccccc1)C2

Basic Information

ChEMBL ID CHEMBL230051
Phase Preclinical
Structure Type MOL
InChI Key ODVQEXKMZVFOHF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

228.2
MW (Da)
1.15
ALogP
4
HBA
2
HBD
72.9
PSA (Ų)
0.81
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 C12H12N4O
MW 228.25
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 8.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 8.44 8.44 3.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 3.67 nM 8.44 Inhibition of fMLP-OMe-induced chemotaxis in human neutrophils 17475488

Literature References

PubMed DOI Target Context # Activities
17475488 10.1016/j.bmcl.2007.04.036 Unchecked 3
17475488 10.1016/j.bmcl.2007.04.036 fMet-Leu-Phe receptor 1

Data from ChEMBL 36 via Core Engine