Compound Detail
CHEMBL3351077
CEFSULODIN 🧪 Phase II
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🧪 Phase II
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
Basic Information
| ChEMBL ID | CHEMBL3351077 |
| Name | CEFSULODIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | SYLKGLMBLAAGSC-QLVMHMETSA-N |
| Therapeutic | ✓ Yes |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
4
Known Names
1
Indications
1
Mechanisms
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 |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Bacterial penicillin-binding protein inhibitor | INHIBITOR | Bacterial penicillin-binding protein | ✓ | ✓ |
Indications
Bacterial Infections
ATC Classification
J01DD03
cefsulodin
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
IC50 7 meas. best 7.01
Ki 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lethal(3)malignant brain tumor-like protein 1 CHEMBL1287622 | IC50 | 7.01 | 7.01 | 98.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | Ki | 5.18 | 5.18 | 6600.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 4.78 | 4.78 | 16800.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 6 CHEMBL3166 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lethal(3)malignant brain tumor-like protein 1 | IC50 | = | 98.0 | nM | 7.01 | Inhibition of L3MBTL1 (unknown origin) by AlphaScreen assay | 28478342 |
| Tyrosine-protein phosphatase non-receptor type 11 | Ki | = | 6600.0 | nM | 5.18 | Competitive inhibition of phosphatase activity of SHP2 (unknown origin) using pN... | 26191366 |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 16800.0 | nM | 4.78 | Inhibition of phosphatase activity of SHP2 (unknown origin) using pNPP as a subs... | 26191366 |
| Tyrosine-protein phosphatase non-receptor type 6 | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of phosphatase activity of human SHP1 using pNPP as a substrate after... | 26191366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26191366 | 10.1021/acsmedchemlett.5b00118 | Unchecked | 14 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 23344796 | 10.1124/dmd.112.049569 | Organic anion transporter 3 | 3 |
| 22483632 | 10.1016/j.ejmech.2012.03.008 | Escherichia coli | 2 |
| 26191366 | 10.1021/acsmedchemlett.5b00118 | Tyrosine-protein phosphatase non-receptor type 11 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 15567297 | 10.1016/j.ejpb.2004.07.008 | Solute carrier family 15 member 2 | 1 |
| 23344796 | 10.1124/dmd.112.049569 | Solute carrier family 22 member 6 | 1 |
| 26191366 | 10.1021/acsmedchemlett.5b00118 | Low molecular weight phosphotyrosine protein phosphatase | 1 |
| 26191366 | 10.1021/acsmedchemlett.5b00118 | Dual specificity protein phosphatase CDC14A | 1 |
| 26191366 | 10.1021/acsmedchemlett.5b00118 | Dual specificity protein phosphatase 3 | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
| 15567297 | 10.1016/j.ejpb.2004.07.008 | Solute carrier family 15 member 1 | 1 |
| 10525100 | - | Organic cation/carnitine transporter 2 | 1 |
| 26191366 | 10.1021/acsmedchemlett.5b00118 | Receptor-type tyrosine-protein phosphatase epsilon | 1 |
| 26191366 | 10.1021/acsmedchemlett.5b00118 | Receptor-type tyrosine-protein phosphatase beta | 1 |
| 22483632 | 10.1016/j.ejmech.2012.03.008 | Salmonella typhimurium | 1 |
Data from ChEMBL 36 via Core Engine