Compound Detail
CHEMBL3915889
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
O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCC(N5CCCCC5)CC4)cn3)nc12
Basic Information
| ChEMBL ID | CHEMBL3915889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYYVSGBSHKYYPS-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
514.7
MW (Da)
4.43
ALogP
8
HBA
2
HBD
91.2
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.0 | 7.092 | 1.0 | 5 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 1.0 | nM | 9.0 | Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... | - |
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... | - |
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 1500.0 | nM | 5.82 | Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... | - |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... | - |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... | - |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... | - |
Data from ChEMBL 36 via Core Engine