Compound Detail
CHEMBL5903827
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CC1=Nc2c(F)cc(-c3nc(Nc4ccc(CN5CCN(C)CC5)cn4)ncc3F)cc2C12CCCC2
Basic Information
| ChEMBL ID | CHEMBL5903827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGHRRWSTBVYUDK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
5.23
ALogP
7
HBA
1
HBD
69.5
PSA (Ų)
0.51
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK6/cyclin D3 CHEMBL2111448 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| CDK2/Cyclin-E2 CHEMBL4523633 | IC50 | 6.57 | 6.57 | 269.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK6/cyclin D3 | IC50 | = | 0.9 | nM | 9.05 | Kinase Inhibitory Activity Assay: 1.2.2 Preparation of kinase solution: Kina... | - |
| CDK2/Cyclin-E2 | IC50 | = | 269.0 | nM | 6.57 | Kinase Inhibitory Activity Assay: 1.2.2 Preparation of kinase solution: Kina... | - |
Data from ChEMBL 36 via Core Engine