Compound Detail
CHEMBL5571565
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Basic Information
| ChEMBL ID | CHEMBL5571565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWLUUDKTCDEPGP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
477.7
MW (Da)
4.57
ALogP
8
HBA
1
HBD
70.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | Ki | 8.57 | 8.57 | 2.7 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | Ki | 7.79 | 7.79 | 16.3 | 1 |
| CDK7/Cyclin H/MNAT1 CHEMBL3038473 | Ki | 7.22 | 7.22 | 60.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 5/CDK5 activator 1 | Ki | = | 1.0 | nM | 9.0 | Inhibition of human CDK5/p25NCK using histone H1 as substrate preincubated for 1... | 38583237 |
| Cyclin-dependent kinase 2/cyclin E1 | Ki | = | 2.7 | nM | 8.57 | Inhibition of full length N-terminal GST-tagged human CDK2 (1 to 298 residues)/c... | 38583237 |
| CDK9/cyclin T1 | Ki | = | 16.3 | nM | 7.79 | Inhibition of full-length recombinant N-terminal GST-tagged human CDK9 (1 to 372... | 38583237 |
| CDK7/Cyclin H/MNAT1 | Ki | = | 60.2 | nM | 7.22 | Inhibition of recombinant human His-tagged CDK7/cyclin H/MNAT1 expressed in bacu... | 38583237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38583237 | 10.1016/j.bmc.2024.117711 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 38583237 | 10.1016/j.bmc.2024.117711 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 38583237 | 10.1016/j.bmc.2024.117711 | CDK7/Cyclin H/MNAT1 | 1 |
| 38583237 | 10.1016/j.bmc.2024.117711 | CDK9/cyclin T1 | 1 |
Data from ChEMBL 36 via Core Engine