Compound Detail
CHEMBL4577237
BI 9446 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[C@@]1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(C(=O)NC3(c4nc(C5CCC5)no4)CC3)n21
Basic Information
| ChEMBL ID | CHEMBL4577237 |
| Name | BI 9446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VATLFUUMDRXLTK-GDLZYMKVSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
602.5
MW (Da)
5.77
ALogP
8
HBA
1
HBD
129.9
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 6.29 | 6.2633 | 507.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 506.99 | nM | 6.29 | GPCRScan assay: inhibition of Sigma 2 | - |
| Sigma intracellular receptor 2 | Ki | = | 557.65 | nM | 6.25 | GPCRScan assay: inhibition of Sigma 2 | - |
| Sigma intracellular receptor 2 | Ki | = | 557.65 | nM | 6.25 | Selectivity interaction (GPCR panel (PDSP screen)) EUB0000549a TMEM97 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | Fibroblast | 17 |
| - | 10.6019/CHEMBL4507282 | Tyrosine-protein kinase ABL1 | 15 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507282 | Epidermal growth factor receptor | 12 |
| - | 10.6019/CHEMBL4507282 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 10 |
| - | 10.6019/CHEMBL4507282 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 10 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 9 |
| - | 10.6019/CHEMBL4507282 | Unchecked | 9 |
| - | 10.6019/CHEMBL5303304 | U2OS | 9 |
| - | 10.6019/CHEMBL4507282 | Mast/stem cell growth factor receptor Kit | 9 |
| - | 10.6019/CHEMBL4689842 | U2OS | 8 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 8 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL4507282 | Proto-oncogene tyrosine-protein kinase receptor Ret | 4 |
| - | 10.6019/CHEMBL4507282 | Sigma intracellular receptor 2 | 3 |
| - | 10.6019/CHEMBL4507282 | ALK tyrosine kinase receptor | 3 |
| - | 10.6019/CHEMBL4507282 | Hepatocyte growth factor receptor | 3 |
Data from ChEMBL 36 via Core Engine