Compound Detail
CHEMBL5874890
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NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn(C2CC3(C2)CN(C(=O)/C=C/CN2CCOCC2)C3)c1N
Basic Information
| ChEMBL ID | CHEMBL5874890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIMXLJQVOUQSQY-QPJJXVBHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
542.6
MW (Da)
3.08
ALogP
8
HBA
2
HBD
128.9
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.72 | 8.72 | 1.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 1.9 | nM | 8.72 | BTK Assay: TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to q... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 1.9 | nM | 8.72 | BTK Assay: An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quan... | - |
Data from ChEMBL 36 via Core Engine