Compound Detail
CHEMBL271195
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Basic Information
| ChEMBL ID | CHEMBL271195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFELDORIFDMULD-UHFFFAOYSA-N |
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
290.1
MW (Da)
2.36
ALogP
4
HBA
2
HBD
80.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.89 | 5.3567 | 1300.0 | 3 |
| SH-SY5Y CHEMBL614910 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 300.0 | nM | 6.52 | Inhibition of rat recombinant GST-DYRK1A expressed in Escherichia coli | 18232649 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 680.0 | nM | 6.17 | Inhibition of recombinant GST-CDK5/p25 expressed in Escherichia coli | 18232649 |
| CDK9/cyclin T1 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human recombinant CDK9/cyclin T expressed in insect cells | 18232649 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of human recombinant CDK2/cyclin A expressed in insect cells | 18232649 |
| Unchecked | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of pig CK1delta/CK1epsilon | 18232649 |
| Unchecked | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of starfish oocyte CDK1/cyclin B | 18232649 |
| Unchecked | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of pig GSK-3-alpha/GSK-3beta | 18232649 |
| SH-SY5Y | IC50 | = | 43000.0 | nM | 4.37 | Survival of human SHSY5Y cells after 48 hrs by MTS reduction assay | 18232649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18232649 | 10.1021/jm700940h | Unchecked | 3 |
| 18232649 | 10.1021/jm700940h | Cyclin-dependent kinase | 3 |
| 18232649 | 10.1021/jm700940h | Cyclin-dependent kinase 2/cyclin A | 1 |
| 18232649 | 10.1021/jm700940h | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 18232649 | 10.1021/jm700940h | CDK9/cyclin T1 | 1 |
| 18232649 | 10.1021/jm700940h | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 18232649 | 10.1021/jm700940h | SH-SY5Y | 1 |
| 18232649 | 10.1021/jm700940h | HEK293 | 1 |
| 18232649 | 10.1021/jm700940h | GBM | 1 |
| 18232649 | 10.1021/jm700940h | KMS-11 | 1 |
| 18232649 | 10.1021/jm700940h | LS174T | 1 |
Data from ChEMBL 36 via Core Engine