Compound Detail
CHEMBL5896735
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
Cn1nc2c(F)cc(-c3cc(NC(=O)[C@H]4CCC[C@@H](NC(=O)CC#N)C4)ncc3Cl)cc2c1C(C)(C)O
Basic Information
| ChEMBL ID | CHEMBL5896735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRLKJDPJDKEXFB-GOEBONIOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
527.0
MW (Da)
4.18
ALogP
7
HBA
3
HBD
132.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 9.39 | 9.39 | 0.4 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 7.69 | 7.69 | 20.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 0.406 | nM | 9.39 | CDK4/CyclinD1 Enzymatic Activity Assay: The inhibitory activity of compounds was... | - |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 20.4 | nM | 7.69 | CDK2/CyclinA2 Enzymatic Activity Assay: The inhibitory activity of compounds was... | - |
Data from ChEMBL 36 via Core Engine