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

CHEMBL3092860

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
O=C1NC(Nc2ccccc2)=N/C1=C\c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3092860
Phase Preclinical
Structure Type MOL
InChI Key PBNKEANYJCQEQI-KAMYIIQDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
2.63
ALogP
3
HBA
2
HBD
53.5
PSA (Ų)
0.82
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 C16H13N3O
MW 263.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.62

Activity Summary

EC50 1 meas. best 5.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HT-22
CHEMBL614316
 EC50 5.14 5.14 7200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HT-22 EC50 = 7200.0 nM 5.14 Neuroprotective activity against glutamate-induced cell death in mouse HT-22 cel... 34928152

Literature References

PubMed DOI Target Context # Activities
34928152 10.1021/acs.jmedchem.1c01141 Unchecked 2
23454515 10.1016/j.ejmech.2013.01.035 Unchecked 2
23454515 10.1016/j.ejmech.2013.01.035 CDK9/cyclin T1 1
34928152 10.1021/acs.jmedchem.1c01141 ADMET 1
34928152 10.1021/acs.jmedchem.1c01141 Cannabinoid receptor 1 1
34928152 10.1021/acs.jmedchem.1c01141 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
34928152 10.1021/acs.jmedchem.1c01141 HT-22 1
34928152 10.1021/acs.jmedchem.1c01141 Casein kinase 2 1
34928152 10.1021/acs.jmedchem.1c01141 Serine/threonine-protein kinase pim-1 1
34928152 10.1021/acs.jmedchem.1c01141 Dual specificity protein kinase CLK1 1
23454515 10.1016/j.ejmech.2013.01.035 CDK2/Cyclin A2 1
23454515 10.1016/j.ejmech.2013.01.035 Cyclin-dependent kinase 5/CDK5 activator 1 1
23454515 10.1016/j.ejmech.2013.01.035 Glycogen synthase kinase-3 1
23454515 10.1016/j.ejmech.2013.01.035 Dual specificity protein kinase CLK1 1
23454515 10.1016/j.ejmech.2013.01.035 Dual specificity protein kinase CLK2 1
23454515 10.1016/j.ejmech.2013.01.035 Dual specificity protein kinase CLK3 1
23454515 10.1016/j.ejmech.2013.01.035 Dual specificity protein kinase CLK4 1
23454515 10.1016/j.ejmech.2013.01.035 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
23454515 10.1016/j.ejmech.2013.01.035 Dual specificity tyrosine-phosphorylation-regulated kinase 1B 1
23454515 10.1016/j.ejmech.2013.01.035 Dual specificity tyrosine-phosphorylation-regulated kinase 2 1

Data from ChEMBL 36 via Core Engine