Compound Detail
CHEMBL5951418
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Nc1nc(-c2cccc(-n3ccc4cc(C5CC5)cc(F)c4c3=O)c2CO)c2nc(-c3ccccc3)[nH]c2n1
Basic Information
| ChEMBL ID | CHEMBL5951418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOHFHLXHTLGLKT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
518.5
MW (Da)
5.08
ALogP
7
HBA
3
HBD
122.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.01 | 9.005 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.97 | nM | 9.01 | Inhibition Activity Assay: The kinase activity was measured using QuickScout Scr... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.99 | nM | 9.0 | Inhibitory Activity Assay: The kinase activity was measured using QuickScout Scr... | - |
Data from ChEMBL 36 via Core Engine