Compound Detail
CHEMBL1590946
CEFSULODIN SODIUM Enter ChEMBL ID:
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NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)[O-])[C@H]3SC2)cc1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL1590946 |
| Name | CEFSULODIN SODIUM |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REACMANCWHKJSM-DWBVFMGKSA-M |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL3351077 |
| Active Moiety | CHEMBL3351077 |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
8
Known Names
Molecular Properties
532.6
MW (Da)
-1.89
ALogP
8
HBA
3
HBD
190.9
PSA (Ų)
0.20
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 2 meas. best 5.77
EC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-adrenergic receptor kinase 1 CHEMBL4079 | EC50 | 7.16 | 7.16 | 70.0 | 1 |
| Likely tRNA 2'-phosphotransferase CHEMBL1293308 | IC50 | 5.77 | 5.77 | 1686.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-adrenergic receptor kinase 1 | EC50 | = | 70.0 | nM | 7.16 | PUBCHEM_BIOASSAY: Dose Response of inhibitors of GRK2 binding with RNA aptamer, ... | - |
| Likely tRNA 2'-phosphotransferase | IC50 | = | 1686.0 | nM | 5.77 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Unchecked | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of Mycobacterium tuberculosis PTPB | 26713110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28364659 | 10.1016/j.ejmech.2017.03.063 | Trypanosoma cruzi | 6 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 26713110 | 10.1021/acsmedchemlett.5b00373 | Unchecked | 1 |
| 28364659 | 10.1016/j.ejmech.2017.03.063 | Trans-sialidase | 1 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine