Compound Detail
CHEMBL6008368
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CN1CCC(c2c(O)cc(O)c3c(=O)cc(/C=C/c4c(F)c(F)c(F)c(F)c4F)oc23)C(O)C1
Basic Information
| ChEMBL ID | CHEMBL6008368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGSZFJJTBGMXJM-NSCUHMNNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
483.4
MW (Da)
3.85
ALogP
6
HBA
3
HBD
94.1
PSA (Ų)
0.30
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 6.22 | 6.22 | 608.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 12.0 | nM | 7.92 | Inhibition Assay: CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM ... | - |
| CDK2/Cyclin A2 | IC50 | = | 608.0 | nM | 6.22 | Inhibition Assay: CDK-2/cyclin A (5-20 mU diluted in 50 mM Hepes pH 7.5, 1 mM DT... | - |
Data from ChEMBL 36 via Core Engine