Compound Detail
CHEMBL3694402
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Basic Information
| ChEMBL ID | CHEMBL3694402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFQWUUWZHAEWSA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
1.62
ALogP
5
HBA
2
HBD
93.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 10.72 | 10.24 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | IC50 | = | 0.019 | nM | 10.72 | In Vitro Kinase Inhibition Assays: All kinase assays were performed in 96-well F... | - |
| Cyclin-dependent kinase 9 | IC50 | = | 0.173 | nM | 9.76 | In Vitro Kinase Inhibition Assays: All kinase assays were performed in 96-well F... | - |
Data from ChEMBL 36 via Core Engine