Compound Detail
CHEMBL4552180
BAY-588 Enter ChEMBL ID:
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Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C(C)(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL4552180 |
| Name | BAY-588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNGZBWVQLFNTRT-UHFFFAOYSA-N |
3
Targets
9
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
527.5
MW (Da)
5.59
ALogP
5
HBA
2
HBD
102.9
PSA (Ų)
0.33
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 2, facilitated glucose transporter member 4 CHEMBL5874 | IC50 | 6.3 | 6.3 | 500.0 | 3 |
| Solute carrier family 2, facilitated glucose transporter member 1 CHEMBL2535 | IC50 | 5.93 | 5.9233 | 1180.0 | 3 |
| Solute carrier family 2, facilitated glucose transporter member 3 CHEMBL5215 | IC50 | 5.26 | 5.26 | 5470.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4507267 | Tyrosine-protein kinase ABL1 | 15 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507267 | Epidermal growth factor receptor | 12 |
| - | 10.6019/CHEMBL4507267 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 10 |
| - | 10.6019/CHEMBL4507267 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 10 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 9 |
| - | 10.6019/CHEMBL4507267 | Mast/stem cell growth factor receptor Kit | 9 |
| - | 10.6019/CHEMBL4507267 | Unchecked | 8 |
| - | 10.6019/CHEMBL4689842 | U2OS | 6 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL4507267 | Proto-oncogene tyrosine-protein kinase receptor Ret | 4 |
| - | 10.6019/CHEMBL4507267 | Hepatocyte growth factor receptor | 3 |
| - | 10.6019/CHEMBL4507267 | ALK tyrosine kinase receptor | 3 |
| - | 10.6019/CHEMBL4507267 | Tyrosine-protein kinase JAK1 | 2 |
| - | 10.6019/CHEMBL4507267 | Ribosomal protein S6 kinase alpha-5 | 2 |
| - | 10.6019/CHEMBL4507267 | Ribosomal protein S6 kinase alpha-4 | 2 |
| - | 10.6019/CHEMBL4507267 | Ribosomal protein S6 kinase alpha-1 | 2 |
Data from ChEMBL 36 via Core Engine