Compound Detail
CHEMBL4520788
BAY-294 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL4520788 |
| Name | BAY-294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEGLOYDTDILXDA-HNNXBMFYSA-N |
38
Targets
109
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
5.58
ALogP
7
HBA
2
HBD
68.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 89 meas. best 7.67
IC50 20 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL1941 | Ki | 7.67 | 7.67 | 21.1 | 3 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.16 | 7.16 | 69.2 | 3 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.13 | 7.13 | 74.1 | 3 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.07 | 7.0367 | 86.1 | 3 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 7.04 | 7.0267 | 91.2 | 3 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 7.04 | 7.0333 | 92.3 | 3 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.9 | 6.8933 | 125.9 | 3 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.65 | 6.4533 | 223.9 | 3 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 6.54 | 6.5267 | 291.7 | 3 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 6.41 | 6.4033 | 389.1 | 3 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.41 | 6.41 | 389.1 | 3 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.36 | 6.35 | 436.5 | 2 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 6.28 | 6.28 | 523.9 | 3 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.25 | 6.1767 | 562.3 | 3 |
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 6.21 | 6.2033 | 609.5 | 3 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.16 | 6.16 | 691.8 | 3 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.16 | 6.1533 | 691.8 | 3 |
| Mu-type opioid receptor CHEMBL233 | Ki | 6.12 | 6.0867 | 758.6 | 3 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.09 | 6.0767 | 812.8 | 3 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.08 | 6.08 | 822.2 | 3 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.06 | 6.06 | 868.6 | 3 |
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 6.01 | 5.99 | 977.2 | 3 |
| Histamine H1 receptor CHEMBL231 | Ki | 5.87 | 5.87 | 1349.0 | 3 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.85 | 5.8033 | 1412.5 | 3 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 5.83 | 5.83 | 1474.0 | 3 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 5.76 | 5.7533 | 1737.8 | 3 |
| Calu-1 CHEMBL613505 | IC50 | 5.74 | 5.74 | 1840.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 5.72 | 5.72 | 1885.8 | 3 |
| Son of sevenless homolog 1 CHEMBL2079846 | IC50 | 5.72 | 5.3967 | 1890.0 | 9 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.7 | 5.6533 | 1995.3 | 3 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.68 | 5.68 | 2083.2 | 3 |
| SOS1-KRAS CHEMBL5465393 | IC50 | 5.63 | 5.63 | 2340.0 | 4 |
| NCI-H358 CHEMBL614135 | IC50 | 5.47 | 5.47 | 3390.0 | 1 |
| RAS CHEMBL4524006 | IC50 | 5.38 | 5.055 | 4120.0 | 2 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 5.37 | 5.37 | 4231.6 | 3 |
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 5.34 | 5.34 | 4570.0 | 1 |
| K562 CHEMBL385 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
| MOLM-13 CHEMBL3706572 | IC50 | 5.12 | 5.12 | 7570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4689842 | U2OS | 429 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 428 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 428 |
| - | 10.6019/CHEMBL4507273 | Tyrosine-protein kinase ABL1 | 15 |
| - | 10.6019/CHEMBL4507273 | Epidermal growth factor receptor | 13 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507273 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| 30683722 | 10.1073/pnas.1812963116 | Son of sevenless homolog 1 | 10 |
| - | 10.6019/CHEMBL4507273 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 10 |
| - | 10.6019/CHEMBL4507273 | Mast/stem cell growth factor receptor Kit | 9 |
| - | 10.6019/CHEMBL4507273 | Unchecked | 8 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL4507273 | Proto-oncogene tyrosine-protein kinase receptor Ret | 4 |
| - | 10.6019/CHEMBL4507273 | 5-hydroxytryptamine receptor 1A | 3 |
| - | 10.6019/CHEMBL4507273 | Muscarinic acetylcholine receptor M2 | 3 |
| - | 10.6019/CHEMBL4507273 | 5-hydroxytryptamine receptor 1D | 3 |
| - | 10.6019/CHEMBL4507273 | Sodium-dependent serotonin transporter | 3 |
| - | 10.6019/CHEMBL4507273 | Hepatocyte growth factor receptor | 3 |
Data from ChEMBL 36 via Core Engine