Compound Detail
CHEMBL5934435
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Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1N1C(=O)Nc2c(C(=O)N[C@@H]3CCCN(C(=O)/C(C#N)=C/C4CC4)C3)sc3nccc1c23
Basic Information
| ChEMBL ID | CHEMBL5934435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUQSZBJBGYYZQD-XOYGFPHKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
714.7
MW (Da)
6.54
ALogP
8
HBA
3
HBD
160.4
PSA (Ų)
0.14
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.0 | 8.0 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 10.0 | nM | 8.0 | TBD: TBD | - |
| Tyrosine-protein kinase BTK | IC50 | = | 10.0 | nM | 8.0 | Kinase Lanthascreen Binding Assay: A BTK kinase lanthascreen binding assay monit... | - |
Data from ChEMBL 36 via Core Engine