Compound Detail
CHEMBL3921855
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3921855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARWADAMVSZOLNL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
4.88
ALogP
6
HBA
2
HBD
88.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 7.85 | 7.2 | 14.0 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | IC50 | = | 14.0 | nM | 7.85 | CDK9/CycT1 Kinase Assay: Recombinant full-length His-tagged human CDK9 and CycT1... | - |
| Cyclin-dependent kinase 9 | IC50 | = | 279.0 | nM | 6.55 | CDK9/CycT1 : Recombinant full-length His-tagged human CDK9 and CycT1, expressed ... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 410.0 | nM | 6.39 | CDK2/CycE Kinase Assay: Recombinant fusion proteins of GST and human CDK2 and of... | - |
Data from ChEMBL 36 via Core Engine