Compound Detail
CHEMBL4546802
BAY-4900 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL4546802 |
| Name | BAY-4900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQNZFNWBROGUOM-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
437.2
MW (Da)
5.07
ALogP
7
HBA
2
HBD
90.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.41
IC50 2 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.41 | 6.41 | 389.1 | 3 |
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 4.75 | 4.75 | 17700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 390.57 | nM | 6.41 | GPCRScan assay: inhibition of KOR | - |
| Kappa-type opioid receptor | Ki | = | 389.05 | nM | 6.41 | GPCRScan assay: inhibition of KOR | - |
| Kappa-type opioid receptor | Ki | = | 391.0 | nM | 6.41 | Selectivity interaction (GPCR panel (PDSP screen)) EUB0000709a OPRK1 | - |
| Rho-associated protein kinase 2 | IC50 | = | 17700.0 | nM | 4.75 | Biochemical ROCK2 assay | - |
| Rho-associated protein kinase 2 | IC50 | = | 17700.0 | nM | 4.75 | Affinity Biochemical interaction (Enzyme activity assay) EUB0000709a ROCK2 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4507274 | Tyrosine-protein kinase ABL1 | 15 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507274 | Epidermal growth factor receptor | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507274 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| - | 10.6019/CHEMBL4689842 | U2OS | 10 |
| - | 10.6019/CHEMBL4507274 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 10 |
| - | 10.6019/CHEMBL4507274 | Mast/stem cell growth factor receptor Kit | 9 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 7 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 6 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL4507274 | Proto-oncogene tyrosine-protein kinase receptor Ret | 4 |
| - | 10.6019/CHEMBL4507274 | Hepatocyte growth factor receptor | 3 |
| - | 10.6019/CHEMBL4507274 | Kappa-type opioid receptor | 3 |
| - | 10.6019/CHEMBL4507274 | ALK tyrosine kinase receptor | 3 |
| - | 10.6019/CHEMBL4507274 | Ribosomal protein S6 kinase alpha-5 | 2 |
| - | 10.6019/CHEMBL4507274 | Ribosomal protein S6 kinase alpha-4 | 2 |
| - | 10.6019/CHEMBL4507274 | Ribosomal protein S6 kinase alpha-1 | 2 |
| - | 10.6019/CHEMBL4507274 | Tyrosine-protein kinase JAK1 | 2 |
Data from ChEMBL 36 via Core Engine