Compound Detail
CHEMBL3110144
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Basic Information
| ChEMBL ID | CHEMBL3110144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJKOBDWTGMVEHK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
385.2
MW (Da)
3.78
ALogP
5
HBA
1
HBD
68.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 240.0 | nM | 6.62 | Inhibition of GSK-3beta (unknown origin) using (RREGGMSRPAS(p)VDG as substrate a... | 24295046 |
| Cyclin-dependent kinase 2 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of human recombinant CDK2 using ATP/Ulight-CFFKNIVTPRTPPPSQGK-amide a... | 24295046 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24295046 | 10.1021/jm401466v | Glycogen synthase kinase-3 beta | 6 |
| 24295046 | 10.1021/jm401466v | Unchecked | 2 |
| 24295046 | 10.1021/jm401466v | Cyclin-dependent kinase 2 | 1 |
| 24295046 | 10.1021/jm401466v | No relevant target | 1 |
| 24295046 | 10.1021/jm401466v | Aurora kinase A | 1 |
| 24295046 | 10.1021/jm401466v | Glycogen synthase kinase-3 alpha | 1 |
| 24295046 | 10.1021/jm401466v | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 24295046 | 10.1021/jm401466v | Platelet-derived growth factor receptor beta | 1 |
| 24295046 | 10.1021/jm401466v | Tyrosine-protein kinase Fyn | 1 |
| 24295046 | 10.1021/jm401466v | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 1 |
| 24295046 | 10.1021/jm401466v | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 24295046 | 10.1021/jm401466v | Mitogen-activated protein kinase 3 | 1 |
| 24295046 | 10.1021/jm401466v | Vascular endothelial growth factor receptor 2 | 1 |
| 24295046 | 10.1021/jm401466v | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
| 24295046 | 10.1021/jm401466v | Mitogen-activated protein kinase 13 | 1 |
| 24295046 | 10.1021/jm401466v | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 24295046 | 10.1021/jm401466v | Rho-associated protein kinase 1 | 1 |
| 24295046 | 10.1021/jm401466v | Serine/threonine-protein kinase Sgk1 | 1 |
| 24295046 | 10.1021/jm401466v | cAMP-dependent protein kinase catalytic subunit alpha | 1 |
| 24295046 | 10.1021/jm401466v | Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK) | 1 |
Data from ChEMBL 36 via Core Engine