Compound Detail
CHEMBL5564220
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Basic Information
| ChEMBL ID | CHEMBL5564220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCEXYAFUDMYBSF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
477.7
MW (Da)
4.62
ALogP
8
HBA
2
HBD
79.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK7/Cyclin H/MNAT1 CHEMBL3038473 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | Ki | 6.76 | 6.76 | 175.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK7/Cyclin H/MNAT1 | Ki | = | 25.1 | nM | 7.6 | Inhibition of CDK7/cyclin H/MNAT1 (unknown origin) preincubated for 10 mins foll... | 38586950 |
| Cyclin-dependent kinase 2/cyclin E1 | Ki | = | 175.4 | nM | 6.76 | Inhibition of full length human CDK2 (1 to 298 residues)/N-terminal GST-tagged h... | 38586950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38586950 | 10.1021/acs.jmedchem.3c01832 | CDK7/Cyclin H/MNAT1 | 1 |
| 38586950 | 10.1021/acs.jmedchem.3c01832 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 38586950 | 10.1021/acs.jmedchem.3c01832 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine