Compound Detail
CHEMBL4591082
SR-302 Enter ChEMBL ID:
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CS(=O)(=O)N1CCCC(NC(=O)[C@H](CCC2CCCCC2)NC(=O)c2ccc(CNC(=O)c3cnc4ccccn34)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL4591082 |
| Name | SR-302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGMNFJAFXXXRLZ-GEVKEYJPSA-N |
4
Targets
24
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
622.8
MW (Da)
3.26
ALogP
7
HBA
3
HBD
142.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 24 meas. best 9.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Discoidin domain-containing receptor 2 CHEMBL5122 | IC50 | 9.12 | 8.2067 | 0.8 | 6 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.21 | 7.3367 | 6.2 | 6 |
| Epithelial discoidin domain-containing receptor 1 CHEMBL5319 | IC50 | 7.64 | 7.5167 | 23.0 | 6 |
| Mitogen-activated protein kinase 11 CHEMBL3961 | IC50 | 7.35 | 6.9233 | 45.1 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4689842 | Fibroblast | 1272 |
| - | 10.6019/CHEMBL4689842 | U2OS | 1270 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 1270 |
| - | 10.6019/CHEMBL4507324 | Tyrosine-protein kinase ABL1 | 16 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507324 | Epidermal growth factor receptor | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507324 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| - | 10.6019/CHEMBL4507324 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 10 |
| - | 10.6019/CHEMBL4507324 | Mast/stem cell growth factor receptor Kit | 9 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL4507324 | Proto-oncogene tyrosine-protein kinase receptor Ret | 4 |
| 34506142 | 10.1021/acs.jmedchem.1c00868 | Mitogen-activated protein kinase 14 | 3 |
| - | 10.6019/CHEMBL4507324 | Serine/threonine-protein kinase B-raf | 3 |
| - | 10.6019/CHEMBL4507324 | Ribosomal protein S6 kinase alpha-5 | 3 |
| 34506142 | 10.1021/acs.jmedchem.1c00868 | Epithelial discoidin domain-containing receptor 1 | 3 |
| - | 10.6019/CHEMBL4507324 | Mitogen-activated protein kinase 14 | 3 |
| - | 10.6019/CHEMBL4507324 | Mitogen-activated protein kinase 11 | 3 |
| - | 10.6019/CHEMBL4507324 | Discoidin domain-containing receptor 2 | 3 |
Data from ChEMBL 36 via Core Engine