Compound Detail
CHEMBL6007401
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COc1cc(C(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N[C@@H](C)CC(F)(F)F)C3)[nH]n2)n(C)n1
Basic Information
| ChEMBL ID | CHEMBL6007401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMSHLCXVXFWWHK-SDDRHHMPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.4
MW (Da)
3.11
ALogP
7
HBA
3
HBD
123.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | Ki | 9.82 | 9.82 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 | Ki | = | 0.15 | nM | 9.82 | Biochemical Assay: The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibi... | - |
Data from ChEMBL 36 via Core Engine