Compound Detail
CHEMBL4647459
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Basic Information
| ChEMBL ID | CHEMBL4647459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDGDTQLLJKBTHW-JLHYYAGUSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
3.78
ALogP
2
HBA
1
HBD
45.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 6.37 | 6.37 | 424.0 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 6.37 | 6.37 | 424.0 | 1 |
| Serine/threonine-protein kinase haspin CHEMBL1075163 | IC50 | 5.88 | 5.88 | 1321.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 424.0 | nM | 6.37 | Inhibition of human recombinant CDK9/Cyclin T expressed in baculovirus in Sf9 in... | 32284225 |
| Cyclin-dependent kinase 9 | IC50 | = | 424.0 | nM | 6.37 | Inhibition of CDK9 (unknown origin) | 38564299 |
| Serine/threonine-protein kinase haspin | IC50 | = | 1321.0 | nM | 5.88 | Inhibition of human recombinant Haspin (470 to 798 residues) expressed in bacter... | 32284225 |
| Serine/threonine-protein kinase haspin | IC50 | = | 1321.0 | nM | 5.88 | Inhibition of human HASPIN by discoverX kinome scan assay | 38564299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32284225 | 10.1016/j.bmc.2020.115468 | Serine/threonine-protein kinase haspin | 2 |
| 32284225 | 10.1016/j.bmc.2020.115468 | CDK9/cyclin T1 | 2 |
| 32284225 | 10.1016/j.bmc.2020.115468 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 32284225 | 10.1016/j.bmc.2020.115468 | CDK2/Cyclin A2 | 1 |
| 32284225 | 10.1016/j.bmc.2020.115468 | Serine/threonine-protein kinase pim-1 | 1 |
| 32284225 | 10.1016/j.bmc.2020.115468 | Casein kinase 1, delta tv1 | 1 |
| 32284225 | 10.1016/j.bmc.2020.115468 | Glycogen synthase kinase-3 | 1 |
| 32284225 | 10.1016/j.bmc.2020.115468 | Unchecked | 1 |
| 38564299 | 10.1021/acs.jmedchem.4c00312 | Cyclin-dependent kinase 9 | 1 |
| 38564299 | 10.1021/acs.jmedchem.4c00312 | Serine/threonine-protein kinase haspin | 1 |
Data from ChEMBL 36 via Core Engine