Compound Detail
CHEMBL4167193
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CN(C)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](c5ccc6ccncc6c5)[C@@]4(C)CC[C@@H]32)C1
Basic Information
| ChEMBL ID | CHEMBL4167193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWZSHWBGHQBIML-DVKXZNKPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
428.7
MW (Da)
7.21
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 19 CHEMBL6002 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Cyclin-dependent kinase 8 CHEMBL5719 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 19 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human CDK19 (M1 to N360 residues) expressed in bacterial expressio... | 29937979 |
| Cyclin-dependent kinase 8 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of CDK8 (unknown origin) | 29937979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29937979 | 10.1021/acsmedchemlett.8b00011 | Cyclin-dependent kinase 8 | 3 |
| 29937979 | 10.1021/acsmedchemlett.8b00011 | Serine/threonine-protein kinase Nek1 | 2 |
| 29937979 | 10.1021/acsmedchemlett.8b00011 | Cyclin-dependent kinase 19 | 2 |
| 29937979 | 10.1021/acsmedchemlett.8b00011 | 1-phosphatidylinositol 3-phosphate 5-kinase | 1 |
Data from ChEMBL 36 via Core Engine