Compound Detail
CHEMBL4205977
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Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1ccnc(Nc2ccc3cn[nH]c3c2)n1
Basic Information
| ChEMBL ID | CHEMBL4205977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMPKPNFORPFLQD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
6.62
ALogP
5
HBA
3
HBD
95.6
PSA (Ų)
0.26
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 440.0 | nM | 6.36 | Inhibition of BTK (unknown origin) using FITC-labeled Srctide substrate and ATP ... | 29198867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29198867 | 10.1016/j.bmcl.2017.11.037 | ADMET | 2 |
| 29198867 | 10.1016/j.bmcl.2017.11.037 | Tyrosine-protein kinase BTK | 1 |
| 29198867 | 10.1016/j.bmcl.2017.11.037 | Tyrosine-protein kinase SYK | 1 |
Data from ChEMBL 36 via Core Engine