Compound Detail
CHEMBL5204333
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Nc1nccn2c([C@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3OCc3ccccc3)c12
Basic Information
| ChEMBL ID | CHEMBL5204333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHUMYMFIVGBQOX-UPVQGACJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
641.6
MW (Da)
6.09
ALogP
8
HBA
2
HBD
127.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 7.97 | 7.97 | 10.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 10.7 | nM | 7.97 | Inhibition of BTK (unknown origin) | 35594541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35594541 | 10.1021/acs.jmedchem.2c00030 | Tyrosine-protein kinase BTK | 1 |
Data from ChEMBL 36 via Core Engine