Compound Detail
CHEMBL6006801
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N#CN1CCCC(n2nc(-c3ccc(Oc4cccc(C(F)(F)F)n4)cc3)c(C(N)=O)c2N)C1
Basic Information
| ChEMBL ID | CHEMBL6006801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNMYMSAHQVYVMW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
471.4
MW (Da)
3.56
ALogP
8
HBA
2
HBD
136.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.59 | 8.155 | 2.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 2.6 | nM | 8.59 | Human BTK LanthaScreen Assay: TR-FRET LanthaScreen assays were performed by incu... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 18.9 | nM | 7.72 | Human BTK LanthaScreen Assay: TR-FRET LanthaScreen assays were performed by incu... | - |
Data from ChEMBL 36 via Core Engine