Compound Detail
CHEMBL5745368
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C=CC(=O)N1CC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2cnc(Oc3ccccc3)nc2C)C1
Basic Information
| ChEMBL ID | CHEMBL5745368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVTXTYWNTLOORC-MRXNPFEDSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
541.6
MW (Da)
4.39
ALogP
8
HBA
2
HBD
129.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.0 | 7.08 | 10.0 | 5 |
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 | = | 25.1 | nM | 7.6 | TBD: TBD | - |
| Tyrosine-protein kinase BTK | IC50 | = | 25.1 | nM | 7.6 | Kinase Lanthascreen Binding Assay: A BTK kinase lanthascreen binding assay monit... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 794.0 | nM | 6.1 | TBD: TBD | - |
| Tyrosine-protein kinase BTK | IC50 | = | 794.0 | nM | 6.1 | Kinase Lanthascreen Binding Assay: A BTK kinase lanthascreen binding assay monit... | - |
Data from ChEMBL 36 via Core Engine