Compound Detail
CHEMBL5863053
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CCN1CC=C(c2cc3c(-c4cccc(-n5ccc6cc(C7CC7)cc(F)c6c5=O)c4CO)nc(N)nc3[nH]2)CC1
Basic Information
| ChEMBL ID | CHEMBL5863053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMKFTHBYBIXBCC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
550.6
MW (Da)
5.13
ALogP
7
HBA
3
HBD
113.1
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.33 | 9.145 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.47 | nM | 9.33 | Inhibition Activity Assay: The kinase activity was measured using QuickScout Scr... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 1.1 | nM | 8.96 | Inhibitory Activity Assay: The kinase activity was measured using QuickScout Scr... | - |
Data from ChEMBL 36 via Core Engine