Compound Detail
CHEMBL1208600
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Basic Information
| ChEMBL ID | CHEMBL1208600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHBOEHLUIBMBMY-YPKPFQOOSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
342.3
MW (Da)
1.90
ALogP
5
HBA
3
HBD
112.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 7.46 | 7.46 | 35.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.26 | 7.1133 | 55.0 | 3 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 6.52 | 6.52 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK2/Cyclin A2 | IC50 | = | 35.0 | nM | 7.46 | Inhibition of CDK2/Cyclin A (unknown origin) | 35485642 |
| CDK2/Cyclin A2 | IC50 | = | 35.0 | nM | 7.46 | Inhibition of CDK2/cyclin A (unknown origin) | 34161865 |
| Unchecked | IC50 | = | 55.0 | nM | 7.26 | Inhibition of CDK1/Cyclin B (unknown origin) | 35485642 |
| Unchecked | IC50 | = | 55.0 | nM | 7.26 | Inhibition of starfish oocyte CDK1/Cyclin B using histone H1 as substrate incuba... | 34161865 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 65.0 | nM | 7.19 | Inhibition of CDK5/p35 (unknown origin) | 34161865 |
| Unchecked | IC50 | = | 150.0 | nM | 6.82 | Inhibition of CDK2/cyclin E (unknown origin) | 34161865 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of CDK4/Cyclin D1 (unknown origin) | 35485642 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of CDK4/cyclin D1 (unknown origin) | 34161865 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34161865 | 10.1016/j.ejmech.2021.113652 | Unchecked | 2 |
| 35485642 | 10.1021/acs.jmedchem.1c02064 | Unchecked | 1 |
| 35485642 | 10.1021/acs.jmedchem.1c02064 | CDK2/Cyclin A2 | 1 |
| 35485642 | 10.1021/acs.jmedchem.1c02064 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 34161865 | 10.1016/j.ejmech.2021.113652 | CDK2/Cyclin A2 | 1 |
| 34161865 | 10.1016/j.ejmech.2021.113652 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 34161865 | 10.1016/j.ejmech.2021.113652 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
Data from ChEMBL 36 via Core Engine