Compound Detail
CHEMBL4555711
BAY-9897 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL4555711 |
| Name | BAY-9897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWRARANSONEPBZ-CHWSQXEVSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
3.48
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.01
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL1941 | Ki | 5.01 | 5.01 | 9772.4 | 2 |
| Short transient receptor potential channel 5 CHEMBL1250411 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | Ki | = | 9781.38 | nM | 5.01 | GPCRScan assay: inhibition of H2 | - |
| Histamine H2 receptor | Ki | = | 9772.37 | nM | 5.01 | GPCRScan assay: inhibition of H2 | - |
| Short transient receptor potential channel 5 | IC50 | = | 10000.0 | nM | 5.0 | TRP selectivity screen (TRPC5) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5303304 | U2OS | 7 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 4 |
| - | 10.6019/CHEMBL4507328 | Histamine H2 receptor | 3 |
| - | 10.6019/CHEMBL4507328 | GABA-A receptor; anion channel | 2 |
| 36622903 | 10.1021/acs.jmedchem.2c01830 | Transient receptor potential cation channel subfamily A member 1 | 2 |
| - | 10.6019/CHEMBL4507328 | Transient receptor potential cation channel subfamily A member 1 | 2 |
| - | 10.6019/CHEMBL4507328 | Histamine H1 receptor | 1 |
| - | 10.1021/acschembio.2c00877 | Colon organoid | 1 |
| - | 10.6019/CHEMBL4507328 | Muscarinic acetylcholine receptor M2 | 1 |
| - | 10.6019/CHEMBL4507328 | Muscarinic acetylcholine receptor M1 | 1 |
| - | 10.6019/CHEMBL4507328 | Histamine H3 receptor | 1 |
| - | 10.6019/CHEMBL4507328 | Beta-2 adrenergic receptor | 1 |
| - | 10.6019/CHEMBL4507328 | 5-hydroxytryptamine receptor 5A | 1 |
| - | 10.6019/CHEMBL4507328 | 5-hydroxytryptamine receptor 2C | 1 |
| - | 10.6019/CHEMBL4507328 | Short transient receptor potential channel 6 | 1 |
| - | 10.6019/CHEMBL4507328 | Transient receptor potential cation channel subfamily V member 4 | 1 |
Data from ChEMBL 36 via Core Engine