Compound Detail
CHEMBL6048690
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CN1CCN(Cc2ccc(-c3cc4c(-c5cccc(-n6ccc7cc(C8CC8)cc(F)c7c6=O)c5CO)nc(N)nc4[nH]3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL6048690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSBBWSKFYDXKRI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
629.7
MW (Da)
5.43
ALogP
8
HBA
3
HBD
116.3
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.48 | 9.425 | 0.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.33 | nM | 9.48 | Inhibition Activity Assay: The kinase activity was measured using QuickScout Scr... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.43 | nM | 9.37 | Inhibitory Activity Assay: The kinase activity was measured using QuickScout Scr... | - |
Data from ChEMBL 36 via Core Engine