Compound Detail
CHEMBL5973202
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CC#CC(=O)N1CC[C@]2(C1)C[C@H](n1nc(-c3ccc(OCCC)c(Cl)c3)c(C(N)=O)c1N)C2
Basic Information
| ChEMBL ID | CHEMBL5973202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOAOSBOZEDGWJG-BCTVQRCUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
470.0
MW (Da)
3.25
ALogP
6
HBA
2
HBD
116.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.46 | 8.46 | 3.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 3.5 | nM | 8.46 | BTK Assay: TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to q... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 3.5 | nM | 8.46 | BTK Assay: An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quan... | - |
Data from ChEMBL 36 via Core Engine