Compound Detail
CHEMBL5083778
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Basic Information
| ChEMBL ID | CHEMBL5083778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLPDYLPFPWPYBC-XMMPIXPASA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
4.24
ALogP
7
HBA
2
HBD
83.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 7.01 | 7.01 | 98.0 | 1 |
| CDK6/cyclin D3 CHEMBL2111448 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| CDK7/Cyclin H/MNAT1 CHEMBL3038473 | IC50 | 6.44 | 6.44 | 362.0 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 1.2 | nM | 8.92 | Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p2... | 35143203 |
| CDK2/Cyclin A2 | IC50 | = | 98.0 | nM | 7.01 | Inhibition of full length N-terminal GST tagged human CDK2(1 to 298 residues)/Cy... | 35143203 |
| CDK6/cyclin D3 | IC50 | = | 270.0 | nM | 6.57 | Inhibition of full length N-terminal GST fused human CDK6 (1 to 326 residues)/Cy... | 35143203 |
| CDK7/Cyclin H/MNAT1 | IC50 | = | 362.0 | nM | 6.44 | Inhibition of full length N-terminal GST fused human CDK7 (1 to 346 residues)/Cy... | 35143203 |
| CDK9/cyclin T1 | IC50 | = | 450.0 | nM | 6.35 | Inhibition of full length N-terminal GST fused human CDK9(1 to 372 residues)/ Hi... | 35143203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35143203 | 10.1021/acs.jmedchem.1c02069 | Cyclin-dependent kinase 5/CDK5 activator 1 | 2 |
| 35143203 | 10.1021/acs.jmedchem.1c02069 | CDK2/Cyclin A2 | 1 |
| 35143203 | 10.1021/acs.jmedchem.1c02069 | CDK6/cyclin D3 | 1 |
| 35143203 | 10.1021/acs.jmedchem.1c02069 | CDK7/Cyclin H/MNAT1 | 1 |
| 35143203 | 10.1021/acs.jmedchem.1c02069 | CDK9/cyclin T1 | 1 |
| 35143203 | 10.1021/acs.jmedchem.1c02069 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine