Compound Detail
CHEMBL5841163
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
CCN1CCN(c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc6n(c5c4)C(C)(C)CC6)n3)nc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5841163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLVCFRZZHAKDOE-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
4.73
ALogP
8
HBA
1
HBD
75.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 10.15 | 10.15 | 0.1 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 9.06 | 9.06 | 0.9 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 7.33 | 7.33 | 46.8 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.93 | 6.93 | 117.0 | 1 |
| CDK1/Cyclin A CHEMBL3038467 | IC50 | 6.42 | 6.42 | 376.0 | 1 |
| CDK6/cyclin D3 CHEMBL2111448 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| CDK4/Cyclin D3 CHEMBL3038472 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 0.07 | nM | 10.15 | CDK4 Inhibition Assay: Test compounds (compound of the present invention, refere... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 0.88 | nM | 9.06 | CDK6 Inhibition Assay: Test compounds (compound of the present invention, refere... | - |
| Cyclin-dependent kinase 5 | IC50 | = | 46.8 | nM | 7.33 | CDK5 Inhibition Assay: Test compounds (compound of the present invention, refere... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 117.0 | nM | 6.93 | CDK2 Inhibition Assay: Test compounds (compound of the present invention, refere... | - |
| CDK1/Cyclin A | IC50 | = | 376.0 | nM | 6.42 | Inhibition Assay: In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by comp... | - |
| CDK6/cyclin D3 | IC50 | = | 5300.0 | nM | 5.28 | Inhibition Assay: In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by comp... | - |
| CDK4/Cyclin D3 | IC50 | = | 6900.0 | nM | 5.16 | Inhibition Assay: In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by comp... | - |
Data from ChEMBL 36 via Core Engine