Compound Detail
CHEMBL6051771
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Cc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)on1
Basic Information
| ChEMBL ID | CHEMBL6051771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJIGRXABGQBDBA-QWHCGFSZSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
2.80
ALogP
6
HBA
3
HBD
122.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | Ki | 9.77 | 9.77 | 0.2 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| CDK1/Cyclin A CHEMBL3038467 | Ki | 7.79 | 7.79 | 16.4 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | Ki | 7.58 | 7.58 | 26.6 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 7.53 | 7.53 | 29.3 | 1 |
| CDK6/cyclin D1 CHEMBL2111455 | Ki | 7.23 | 7.23 | 58.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 | Ki | = | 0.17 | nM | 9.77 | Biochemical Assay: The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibi... | - |
| Cyclin-dependent kinase 9 | Ki | = | 6.3 | nM | 8.2 | Biochemical Assay: The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibi... | - |
| CDK1/Cyclin A | Ki | = | 16.4 | nM | 7.79 | Biochemical Assay: The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibi... | - |
| Cyclin-dependent kinase 4/cyclin D1 | Ki | = | 26.6 | nM | 7.58 | Biochemical Assay: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibitio... | - |
| Glycogen synthase kinase-3 beta | Ki | = | 29.3 | nM | 7.53 | Biochemical Assay: The purpose of GSK3β assay is to evaluate the inhibition (% i... | - |
| CDK6/cyclin D1 | Ki | = | 58.6 | nM | 7.23 | Biochemical Assay: The purpose of the CDK6/Cyclin D3 assay is to evaluate the in... | - |
Data from ChEMBL 36 via Core Engine