Compound Detail
CHEMBL5865771
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
CC#CC(=O)N1CC2(CC(n3nc(-c4ccc(Oc5ccccc5)cc4)c(C(N)=O)c3N)C2)C1
Basic Information
| ChEMBL ID | CHEMBL5865771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWWGDMUDYGRTFX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
455.5
MW (Da)
3.21
ALogP
6
HBA
2
HBD
116.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.14 | 9.14 | 0.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.73 | nM | 9.14 | BTK Assay: TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to q... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.73 | nM | 9.14 | BTK Assay: An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quan... | - |
Data from ChEMBL 36 via Core Engine