Compound Detail
CHEMBL4800405
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=C1COc2cccc(c2)-c2cncc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(c2)N1
Basic Information
| ChEMBL ID | CHEMBL4800405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUQFTBHLXJOYBZ-UHFFFAOYSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
459.5
MW (Da)
4.56
ALogP
6
HBA
3
HBD
121.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 8 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | EC50 | 8.3 | 8.3 | 5.0 | 2 |
| Dual specificity protein kinase CLK3 CHEMBL4226 | EC50 | 7.8 | 7.8 | 16.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.43 | 7.1633 | 37.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine