Compound Detail
CHEMBL4635959
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cc(NC2CCN(C(=O)O[C@H]3CCN(C(=O)/C=C/CN(C)C)C3)CC2)n2ncc(C(C)C)c2n1
Basic Information
| ChEMBL ID | CHEMBL4635959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRDAHPJRLCTJNA-BXKJMJEDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
2.89
ALogP
8
HBA
1
HBD
95.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 6.83 | 6.83 | 148.0 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 5.55 | 5.55 | 2830.0 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 5.2 | 5.2 | 6320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 7 | IC50 | = | 148.0 | nM | 6.83 | Inhibition of CDK7 (unknown origin) | 32150405 |
| Cyclin-dependent kinase 4 | IC50 | = | 2830.0 | nM | 5.55 | Inhibition of CDK4 (unknown origin) | 32150405 |
| Cyclin-dependent kinase 9 | IC50 | = | 6320.0 | nM | 5.2 | Inhibition of CDK9 (unknown origin) | 32150405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32150405 | 10.1021/acs.jmedchem.9b01985 | Cyclin-dependent kinase 9 | 2 |
| 32150405 | 10.1021/acs.jmedchem.9b01985 | Cyclin-dependent kinase 7 | 1 |
| 32150405 | 10.1021/acs.jmedchem.9b01985 | Cyclin-dependent kinase 1 | 1 |
| 32150405 | 10.1021/acs.jmedchem.9b01985 | Cyclin-dependent kinase 2 | 1 |
| 32150405 | 10.1021/acs.jmedchem.9b01985 | Cyclin-dependent kinase 4 | 1 |
| 32150405 | 10.1021/acs.jmedchem.9b01985 | Cyclin-dependent kinase 6 | 1 |
| 32150405 | 10.1021/acs.jmedchem.9b01985 | Cyclin-dependent kinase 8 | 1 |
| 32150405 | 10.1021/acs.jmedchem.9b01985 | Cyclin-dependent kinase 12 | 1 |
| 32150405 | 10.1021/acs.jmedchem.9b01985 | Cyclin-dependent kinase 13 | 1 |
| 32150405 | 10.1021/acs.jmedchem.9b01985 | Cyclin-dependent kinase 18 | 1 |
| 32150405 | 10.1021/acs.jmedchem.9b01985 | Cyclin-dependent kinase 19 | 1 |
Data from ChEMBL 36 via Core Engine