Compound Detail
CHEMBL270926
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
Basic Information
| ChEMBL ID | CHEMBL270926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJLTWCLIFVXAEJ-UHFFFAOYSA-N |
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
2.75
ALogP
5
HBA
1
HBD
63.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.22 | 5.71 | 600.0 | 3 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.18 | 4.18 | 66000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 600.0 | nM | 6.22 | Inhibition of pig CK1delta/CK1epsilon | 18232649 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of rat recombinant GST-DYRK1A expressed in Escherichia coli | 18232649 |
| CDK9/cyclin T1 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of human recombinant CDK9/cyclin T expressed in insect cells | 18232649 |
| Unchecked | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of starfish oocyte CDK1/cyclin B | 18232649 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of human recombinant CDK2/cyclin A expressed in insect cells | 18232649 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of recombinant GST-CDK5/p25 expressed in Escherichia coli | 18232649 |
| Unchecked | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of pig GSK-3-alpha/GSK-3beta | 18232649 |
| HEK293 | IC50 | = | 66000.0 | nM | 4.18 | Survival of human HEK293 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