Compound Detail
CHEMBL4540759
BI 0054 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL4540759 |
| Name | BI 0054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPJRPOWMFLBSKZ-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
2.12
ALogP
4
HBA
2
HBD
73.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 6.1 | 6.0867 | 794.3 | 3 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 5.0 | 5.0 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 794.33 | nM | 6.1 | GPCRScan assay: inhibition of DAT | - |
| Sodium-dependent dopamine transporter | Ki | = | 825.0 | nM | 6.08 | GPCRScan assay: inhibition of DAT | - |
| Sodium-dependent dopamine transporter | Ki | = | 825.0 | nM | 6.08 | Selectivity interaction (GPCR panel (PDSP screen)) EUB0000545a SLC6A3 | - |
| Alpha-1D adrenergic receptor | Ki | = | 10000.0 | nM | 5.0 | GPCRScan assay: inhibition of Alpha1D | - |
| Alpha-1D adrenergic receptor | Ki | = | 10000.0 | nM | 5.0 | GPCRScan assay: inhibition of Alpha1D | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4507279 | Tyrosine-protein kinase ABL1 | 15 |
| - | 10.6019/CHEMBL4507279 | Epidermal growth factor receptor | 12 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507279 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 10 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 10 |
| - | 10.6019/CHEMBL4507279 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 10 |
| - | 10.6019/CHEMBL4507279 | Mast/stem cell growth factor receptor Kit | 9 |
| - | 10.6019/CHEMBL4507279 | Unchecked | 8 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 7 |
| - | 10.6019/CHEMBL4689842 | U2OS | 6 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 5 |
| - | 10.6019/CHEMBL5303304 | U2OS | 4 |
| - | 10.6019/CHEMBL4507279 | Proto-oncogene tyrosine-protein kinase receptor Ret | 4 |
| - | 10.6019/CHEMBL4507279 | Sodium-dependent dopamine transporter | 3 |
| - | 10.6019/CHEMBL4507279 | Hepatocyte growth factor receptor | 3 |
| - | 10.6019/CHEMBL4507279 | ALK tyrosine kinase receptor | 3 |
Data from ChEMBL 36 via Core Engine