Compound Detail
CHEMBL265964
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Basic Information
| ChEMBL ID | CHEMBL265964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVFVVRPJERUECT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
0.45
ALogP
6
HBA
3
HBD
124.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 6.02 | 6.02 | 946.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK2/Cyclin A2 | IC50 | = | 946.0 | nM | 6.02 | Inhibition of GST-tagged CDK2/cyclin A2 (unknown origin) expressed in Escherichi... | 30234987 |
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of His-tagged CDK2/cyclin E (unknown origin) expressed in Baculovirus... | 30234987 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of GST-tagged CDK5/p25 (unknown origin) expressed in Baculovirus infe... | 30234987 |
| Cyclin-dependent kinase 1/cyclin B1 | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of His-tagged CDK1/cyclin B1 (unknown origin) expressed in Baculoviru... | 30234987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30234987 | 10.1021/acs.jmedchem.8b00049 | Cyclin-dependent kinase 9 | 1 |
| 30234987 | 10.1021/acs.jmedchem.8b00049 | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 30234987 | 10.1021/acs.jmedchem.8b00049 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 30234987 | 10.1021/acs.jmedchem.8b00049 | CDK2/Cyclin A2 | 1 |
| 30234987 | 10.1021/acs.jmedchem.8b00049 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 30234987 | 10.1021/acs.jmedchem.8b00049 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 30234987 | 10.1021/acs.jmedchem.8b00049 | CDK7/Cyclin H/MNAT1 | 1 |
| 30234987 | 10.1021/acs.jmedchem.8b00049 | CDK9/cyclin T1 | 1 |
Data from ChEMBL 36 via Core Engine