Compound Detail
CHEMBL5951147
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Cn1cc(-c2cc3c(-c4cccc(-n5ccc6cc(C7CC7)cc(F)c6c5=O)c4CO)nc(N)nc3[nH]2)cn1
Basic Information
| ChEMBL ID | CHEMBL5951147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMABFBPIJVNLSQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
521.6
MW (Da)
4.42
ALogP
8
HBA
3
HBD
127.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.31 | 9.265 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.49 | nM | 9.31 | Inhibition Activity Assay: The kinase activity was measured using QuickScout Scr... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.6 | nM | 9.22 | Inhibitory Activity Assay: The kinase activity was measured using QuickScout Scr... | - |
Data from ChEMBL 36 via Core Engine