Compound Detail
CHEMBL5799248
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 | CHEMBL5799248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXPLQWLEZXXOPK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
4.55
ALogP
7
HBA
2
HBD
100.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.7 | 7.65 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.0 | nM | 8.7 | CDK9/CycT1 Kinase Assay: For the assay 50 nl of a 100 fold concentrated solution... | - |
| Unchecked | IC50 | = | 250.0 | nM | 6.6 | CDK2/CycE Kinase Assay: For the assay 50 nl of a 100 fold concentrated solution ... | - |
Data from ChEMBL 36 via Core Engine