Compound Detail
CHEMBL4630642
BAY-974 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
Basic Information
| ChEMBL ID | CHEMBL4630642 |
| Name | BAY-974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJJMPAOJOSVSDB-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
4.42
ALogP
6
HBA
2
HBD
106.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 7.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.69 | 7.685 | 20.4 | 2 |
| Gamma-aminobutyric acid receptor subunit alpha-1 CHEMBL1962 | Ki | 7.68 | 7.68 | 21.0 | 2 |
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 5.35 | 5.35 | 4466.8 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 20.42 | nM | 7.69 | GPCRScan assay: inhibition of GABA/PBR | - |
| Unchecked | Ki | = | 20.99 | nM | 7.68 | GPCRScan assay: inhibition of GABA/PBR | - |
| Gamma-aminobutyric acid receptor subunit alpha-1 | Ki | = | 20.99 | nM | 7.68 | Selectivity interaction (GPCR panel (PDSP screen)) EUB0000707a GABRA1 | - |
| Gamma-aminobutyric acid receptor subunit alpha-1 | Ki | = | 20.99 | nM | 7.68 | Selectivity interaction (GPCR panel (PDSP screen)) EUB0000707a GABRA1 | - |
| Sigma intracellular receptor 2 | Ki | = | 4470.95 | nM | 5.35 | GPCRScan assay: inhibition of Sigma 2 | - |
| Sigma intracellular receptor 2 | Ki | = | 4466.84 | nM | 5.35 | GPCRScan assay: inhibition of Sigma 2 | - |
| Sigma intracellular receptor 2 | Ki | = | 4470.95 | nM | 5.35 | Selectivity interaction (GPCR panel (PDSP screen)) EUB0000707a TMEM97 | - |
| Sigma intracellular receptor 2 | Ki | = | 4470.95 | nM | 5.35 | Selectivity interaction (GPCR panel (PDSP screen)) EUB0000707a TMEM97 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4507319 | Tyrosine-protein kinase ABL1 | 15 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507319 | Epidermal growth factor receptor | 12 |
| - | 10.6019/CHEMBL4507319 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| - | 10.6019/CHEMBL4507319 | Unchecked | 10 |
| - | 10.6019/CHEMBL4507319 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 10 |
| - | 10.6019/CHEMBL4689842 | U2OS | 9 |
| - | 10.6019/CHEMBL4507319 | Mast/stem cell growth factor receptor Kit | 9 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 9 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL4507319 | 5'-AMP-activated protein kinase catalytic subunit alpha-1 | 5 |
| - | 10.6019/CHEMBL4507319 | Proto-oncogene tyrosine-protein kinase receptor Ret | 4 |
| - | 10.6019/CHEMBL4507319 | Sigma intracellular receptor 2 | 3 |
| - | 10.6019/CHEMBL4507319 | Hepatocyte growth factor receptor | 3 |
| - | 10.6019/CHEMBL4507319 | ALK tyrosine kinase receptor | 3 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 3 |
| - | 10.6019/CHEMBL4507319 | Ribosomal protein S6 kinase alpha-4 | 2 |
| - | 10.6019/CHEMBL4507319 | Ribosomal protein S6 kinase alpha-5 | 2 |
Data from ChEMBL 36 via Core Engine