Compound Detail
CHEMBL4588900
BI 1230 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
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)CC5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(=O)C(C)C)n3)nc2c1C
Basic Information
| ChEMBL ID | CHEMBL4588900 |
| Name | BI 1230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQCVJBZPFAJZFJ-DVUQJCTJSA-N |
4
Targets
8
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
817.0
MW (Da)
6.14
ALogP
11
HBA
4
HBD
198.4
PSA (Ų)
0.18
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.49
EC50 1 meas. best 8.34
IC50 1 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 protease CHEMBL4296313 | EC50 | 8.34 | 8.34 | 4.6 | 1 |
| NS3 protease CHEMBL4296313 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 5.49 | 5.485 | 3235.9 | 2 |
| Beta-3 adrenergic receptor CHEMBL246 | Ki | 5.44 | 5.44 | 3620.8 | 2 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 5.35 | 5.35 | 4466.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 protease | EC50 | = | 4.6 | nM | 8.34 | HCVPV RNA replication Luciferase reporter assay, genotype 1a | - |
| NS3 protease | IC50 | = | 6.7 | nM | 8.17 | Enzymatic assay | - |
| Alpha-2C adrenergic receptor | Ki | = | 3235.94 | nM | 5.49 | GPCRScan assay: inhibition of Alpha2C | - |
| Alpha-2C adrenergic receptor | Ki | = | 3290.99 | nM | 5.48 | GPCRScan assay: inhibition of Alpha2C | - |
| Beta-3 adrenergic receptor | Ki | = | 3620.76 | nM | 5.44 | GPCRScan assay: inhibition of Beta3 | - |
| Beta-3 adrenergic receptor | Ki | = | 3630.78 | nM | 5.44 | GPCRScan assay: inhibition of Beta3 | - |
| Alpha-2B adrenergic receptor | Ki | = | 4486.58 | nM | 5.35 | GPCRScan assay: inhibition of Alpha2B | - |
| Alpha-2B adrenergic receptor | Ki | = | 4466.84 | nM | 5.35 | GPCRScan assay: inhibition of Alpha2B | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | Fibroblast | 33 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 19 |
| - | 10.6019/CHEMBL4507284 | Tyrosine-protein kinase ABL1 | 15 |
| - | 10.6019/CHEMBL5303304 | U2OS | 14 |
| - | 10.6019/CHEMBL4507284 | Epidermal growth factor receptor | 12 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507284 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| - | 10.6019/CHEMBL4507284 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 10 |
| - | 10.6019/CHEMBL4507284 | Mast/stem cell growth factor receptor Kit | 9 |
| - | 10.6019/CHEMBL4507284 | Unchecked | 8 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL4507284 | Proto-oncogene tyrosine-protein kinase receptor Ret | 4 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 4 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 4 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 4 |
| - | 10.6019/CHEMBL5308504 | Bromodomain-containing protein 4 | 4 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 4 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 4 |
Data from ChEMBL 36 via Core Engine