Compound Detail
CHEMBL2303613
CEFODIZIME 🧪 Phase II
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🧪 Phase II
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(C)c(CC(=O)O)s3)CS[C@H]12)c1csc(N)n1
Basic Information
| ChEMBL ID | CHEMBL2303613 |
| Name | CEFODIZIME |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | XDZKBRJLTGRPSS-BGZQYGJUSA-N |
| Therapeutic | ✓ Yes |
1
Targets
6
Activities
1
Assay Types
8
PK Parameters
20
Publications
20
Known Names
1
Indications
1
Mechanisms
Molecular Properties
584.7
MW (Da)
1.00
ALogP
13
HBA
4
HBD
197.4
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
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
J01DD09
cefodizime
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
Ki 6 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 2 CHEMBL2073676 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.61 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.73 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.1 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 1.2 | mL.min-1.kg-1 | Macaca |
| CL | 4.1 | mL.min-1.kg-1 | Canis lupus familiaris |
| Fu | 0.18 | - | Homo sapiens |
| MRT | 1.5 | hr | Homo sapiens |
| T1/2 | 4.2 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 2 | Ki | = | 10000.0 | nM | 5.0 | TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicle... | 15618649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15920768 | 10.1002/jps.20373 | ADMET | 8 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 18426954 | 10.1124/dmd.108.020479 | ADMET | 4 |
| 37468498 | 10.1038/s41467-023-40064-9 | Androgen receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Nuclear receptor subfamily 1 group I member 2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Progesterone receptor | 2 |
| 8510010 | - | ATP-binding cassette sub-family C member 2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Cannabinoid receptor 1 | 2 |
| 21741846 | 10.1016/j.bmc.2011.06.027 | Solute carrier family 15 member 2 | 2 |
| 15974593 | 10.1021/jm048982w | Solute carrier family 15 member 1 | 1 |
| 15618649 | 10.2133/dmpk.17.23 | ATP-binding cassette sub-family C member 2 | 1 |
Data from ChEMBL 36 via Core Engine