Compound Detail
CHEMBL6061373
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
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(-c3ccc(F)cc3OCc3ccccc3)n2)c1
Basic Information
| ChEMBL ID | CHEMBL6061373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFUZGXNPSFVFEG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
5.75
ALogP
8
HBA
1
HBD
115.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.4 | 7.5 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | 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