Compound Detail
CHEMBL1360024
CEFAMANDOLE SODIUM Enter ChEMBL ID:
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Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL1360024 |
| Name | CEFAMANDOLE SODIUM |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJMNTWPPFNMOCJ-CFOLLTDRSA-M |
| Parent Compound | CHEMBL1146 |
| Active Moiety | CHEMBL1146 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
2
Known Names
Molecular Properties
462.5
MW (Da)
-0.23
ALogP
10
HBA
3
HBD
150.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 4.92 | 4.92 | 12080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 100.0 | nM | 7.0 | PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Targ... | - |
| Leucine aminopeptidase | IC50 | = | 12080.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 20553011 | 10.1021/tx1000865 | Hepatotoxicity | 1 |
| 20843939 | 10.1124/dmd.110.035113 | Hepatotoxicity | 1 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine