Compound Detail
CHEMBL5948246
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NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn([C@@H]2CCCN(C(=O)/C=C/CO)C2)c1N
Basic Information
| ChEMBL ID | CHEMBL5948246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYYZYGRSMYRWNH-QKYXPGDISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
2.74
ALogP
7
HBA
3
HBD
136.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.0 | 9.0 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 1.0 | nM | 9.0 | Human BTK LanthaScreen Assay: TR-FRET LanthaScreen assays were performed by incu... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 1.0 | nM | 9.0 | LanthaScreen Assay: BTK: TR-FRET LanthaScreen assays were performed by incubatin... | - |
Data from ChEMBL 36 via Core Engine