Compound Detail
CHEMBL5918493
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CCC1(C)C(C)=Nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)CO)C5)ncc3F)cc21
Basic Information
| ChEMBL ID | CHEMBL5918493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMJDAZSXABEMLH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
492.5
MW (Da)
4.21
ALogP
7
HBA
2
HBD
103.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK6/cyclin D3 CHEMBL2111448 | IC50 | 8.25 | 8.25 | 5.7 | 1 |
| CDK2/Cyclin-E2 CHEMBL4523633 | IC50 | 7.42 | 7.42 | 38.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK6/cyclin D3 | IC50 | = | 5.65 | nM | 8.25 | Kinase Inhibitory Activity Assay: 1.2.2 Preparation of kinase solution: Kina... | - |
| CDK2/Cyclin-E2 | IC50 | = | 38.5 | nM | 7.42 | Kinase Inhibitory Activity Assay: 1.2.2 Preparation of kinase solution: Kina... | - |
Data from ChEMBL 36 via Core Engine