Compound Detail
CHEMBL4568183
SR-301 Enter ChEMBL ID:
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CS(=O)(=O)N1CCCC(NC(=O)[C@H](CCC2CCCCC2)NC(=O)c2ccc(CNc3ncnc4c3nnn4-c3ccccc3)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL4568183 |
| Name | SR-301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JINDDPNTLQVRRX-ACEFPKFPSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
673.8
MW (Da)
3.82
ALogP
10
HBA
3
HBD
164.1
PSA (Ų)
0.20
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 11 CHEMBL3961 | IC50 | 5.79 | 5.79 | 1630.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.27 | 5.27 | 5390.0 | 2 |
| Discoidin domain-containing receptor 2 CHEMBL5122 | IC50 | 4.81 | 4.81 | 15500.0 | 2 |
| Epithelial discoidin domain-containing receptor 1 CHEMBL5319 | IC50 | 4.66 | 4.66 | 21900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 11 | IC50 | = | 1630.0 | nM | 5.79 | NanoBRET (SGC-Frankfurt) (MAPK11) | - |
| Mitogen-activated protein kinase 14 | IC50 | = | 5390.0 | nM | 5.27 | NanoBRET (SGC-Frankfurt) (MAPK14) | - |
| Mitogen-activated protein kinase 14 | IC50 | = | 5390.0 | nM | 5.27 | Inhibition of p38alpha (unknown origin) expressed in HEK293T cells using NanoBRE... | 34506142 |
| Discoidin domain-containing receptor 2 | IC50 | = | 15500.0 | nM | 4.81 | NanoBRET (SGC-Frankfurt) (DDR2) | - |
| Discoidin domain-containing receptor 2 | IC50 | = | 15500.0 | nM | 4.81 | Inhibition of DDR2 (unknown origin) expressed in HEK293T cells using NanoBRET Na... | 34506142 |
| Epithelial discoidin domain-containing receptor 1 | IC50 | = | 21900.0 | nM | 4.66 | NanoBRET (SGC-Frankfurt) (DDR1) | - |
| Epithelial discoidin domain-containing receptor 1 | IC50 | = | 21900.0 | nM | 4.66 | Inhibition of DDR1 (unknown origin) expressed in HEK293T cells using NanoBRET Na... | 34506142 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4689842 | HEK-293T | 1008 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 1008 |
| - | 10.6019/CHEMBL4689842 | U2OS | 1008 |
| - | 10.6019/CHEMBL4507324 | Tyrosine-protein kinase ABL1 | 15 |
| - | 10.6019/CHEMBL4507324 | Epidermal growth factor receptor | 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/CHEMBL5058564 | U2OS | 6 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 5 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 5 |
| - | 10.6019/CHEMBL4507324 | Proto-oncogene tyrosine-protein kinase receptor Ret | 4 |
| - | 10.6019/CHEMBL4507324 | Hepatocyte growth factor receptor | 3 |
| - | 10.6019/CHEMBL4507324 | ALK tyrosine kinase receptor | 3 |
| - | 10.6019/CHEMBL4507324 | Ribosomal protein S6 kinase alpha-4 | 2 |
| - | 10.6019/CHEMBL4507324 | Tyrosine-protein kinase JAK1 | 2 |
| - | 10.6019/CHEMBL4507324 | Ribosomal protein S6 kinase alpha-1 | 2 |
| - | 10.6019/CHEMBL4507324 | Ribosomal protein S6 kinase alpha-5 | 2 |
| - | 10.6019/CHEMBL4507324 | Mitogen-activated protein kinase 11 | 2 |
| - | 10.6019/CHEMBL4507324 | Discoidin domain-containing receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine