Compound Detail
CHEMBL5742252
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Cc1c(NC(=O)c2nccs2)cccc1-c1ccc(C(N)=O)c2[nH]c(-c3ccccc3CNC(=O)CC#N)cc12
Basic Information
| ChEMBL ID | CHEMBL5742252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPCKMHXUQFOUKH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
548.6
MW (Da)
5.15
ALogP
6
HBA
4
HBD
153.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 550.0 | nM | 6.26 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) : The in-house BT... | - |
Data from ChEMBL 36 via Core Engine