Compound Detail
CHEMBL5990816
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Cc1cc(Oc2ccccc2)ccc1N1C(=O)Nc2c(C(=O)N[C@H]3CCCN(C(=O)CC#N)C3)sc3nccc1c23
Basic Information
| ChEMBL ID | CHEMBL5990816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANOKTAIPHYUFBF-IBGZPJMESA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
566.6
MW (Da)
5.72
ALogP
7
HBA
2
HBD
127.7
PSA (Ų)
0.31
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 7.9 | 7.275 | 12.6 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 12.6 | nM | 7.9 | TBD: TBD | - |
| Tyrosine-protein kinase BTK | IC50 | = | 63.1 | nM | 7.2 | Kinase Lanthascreen Binding Assay: A BTK kinase lanthascreen binding assay monit... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 100.0 | nM | 7.0 | TBD: TBD | - |
| Tyrosine-protein kinase BTK | IC50 | = | 100.0 | nM | 7.0 | Kinase Lanthascreen Binding Assay: A BTK kinase lanthascreen binding assay monit... | - |
Data from ChEMBL 36 via Core Engine