Compound Detail
CHEMBL5890547
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CC#CC(=O)N[C@@H]1CCc2c(-c3ccc(C(=O)Nc4ccccn4)cc3)c3c(N)ncnc3n2C1
Basic Information
| ChEMBL ID | CHEMBL5890547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRXDYQNQEPGOKA-GOSISDBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
465.5
MW (Da)
2.78
ALogP
7
HBA
3
HBD
127.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 110.0 | nM | 6.96 | Inhibitory Activity Assay: Poly(Glu, Tyr) 4:1 as a substrate for enzyme catalyze... | - |
Data from ChEMBL 36 via Core Engine