Compound Detail
CHEMBL5898859
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=CC(=O)N1CCC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(C(F)F)s3)nc3cc(CN[C@@H](C)C(C)(C)C)ccc31)C2
Basic Information
| ChEMBL ID | CHEMBL5898859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKLWHHZNVMVOLN-UKMWPXLWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
583.8
MW (Da)
6.94
ALogP
6
HBA
2
HBD
79.3
PSA (Ų)
0.28
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase TXK CHEMBL4367 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | IC50 | 9.16 | 9.16 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase TXK | IC50 | = | 0.2 | nM | 9.7 | Kinase Inhibition Assay: The in vitro kinase assays were performed at Nanosyn (S... | - |
| Tyrosine-protein kinase ITK/TSK | IC50 | = | 0.69 | nM | 9.16 | Kinase Inhibition Assay: The in vitro kinase assays were performed at Nanosyn (S... | - |
Data from ChEMBL 36 via Core Engine