Compound Detail
CHEMBL4097010
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CN(C)C(=O)c1ccc(-c2nc3c(-c4cccc(-n5ccc6cc(C7CC7)cc(F)c6c5=O)c4CO)ccnc3[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL4097010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNXHYVKLHBSHGT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
573.6
MW (Da)
5.81
ALogP
6
HBA
2
HBD
104.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 7.48 | 7.255 | 33.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 33.3 | nM | 7.48 | Inhibition of recombinant human His-tagged full length BTK expressed in baculovi... | 26169764 |
| Tyrosine-protein kinase BTK | IC50 | = | 92.7 | nM | 7.03 | Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-... | 26169764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26169764 | 10.1016/j.bmc.2015.06.023 | Tyrosine-protein kinase BTK | 2 |
Data from ChEMBL 36 via Core Engine