Compound Detail
CHEMBL5571052
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Basic Information
| ChEMBL ID | CHEMBL5571052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWRVGNYOXQHPMF-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
477.7
MW (Da)
4.98
ALogP
8
HBA
3
HBD
88.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.68
EC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK7/Cyclin H/MNAT1 CHEMBL3038473 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | Ki | 6.43 | 6.43 | 372.7 | 1 |
| MDA-MB-453 CHEMBL614334 | EC50 | 5.28 | 5.28 | 5260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK7/Cyclin H/MNAT1 | Ki | = | 2.1 | nM | 8.68 | Inhibition of CDK7/cyclin H/MNAT1 (unknown origin) preincubated for 10 mins foll... | 38586950 |
| Cyclin-dependent kinase 2/cyclin E1 | Ki | = | 372.7 | nM | 6.43 | Inhibition of full length human CDK2 (1 to 298 residues)/N-terminal GST-tagged h... | 38586950 |
| MDA-MB-453 | EC50 | = | 5260.0 | nM | 5.28 | Antiproliferative activity against human MDA-MB-453 cells assessed as reduction ... | 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 |
| 38586950 | 10.1021/acs.jmedchem.3c01832 | MDA-MB-453 | 1 |
Data from ChEMBL 36 via Core Engine