Compound Detail
CHEMBL1604
CEPHRADINE 💊 Approved Drug
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💊 Approved Drug
CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1
Basic Information
| ChEMBL ID | CHEMBL1604 |
| Name | CEPHRADINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | RDLPVSKMFDYCOR-UEKVPHQBSA-N |
| Therapeutic | ✓ Yes |
2
Targets
8
Activities
2
Assay Types
8
PK Parameters
20
Publications
22
Known Names
1
Indications
1
Mechanisms
Molecular Properties
349.4
MW (Da)
0.35
ALogP
5
HBA
3
HBD
112.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1974 |
| Availability | Discontinued |
| 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
J01DB09
cefradine
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
Ki 5 meas. best 5.01
IC50 3 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 1 CHEMBL4605 | Ki | 5.01 | 5.01 | 9800.0 | 1 |
| Solute carrier family 15 member 2 CHEMBL3325 | Ki | 4.33 | 4.26 | 47000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.2 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.3 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.95 | - | Homo sapiens |
| Fu | 0.95 | - | Homo sapiens |
| MRT | 1.1 | hr | Homo sapiens |
| T1/2 | 0.85 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 1 | Ki | = | 9800.0 | nM | 5.01 | TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in Caco-2 cells | 15567297 |
| Solute carrier family 15 member 2 | Ki | = | 47000.0 | nM | 4.33 | TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing LLC-PK1 cells | 9374833 |
| Solute carrier family 15 member 2 | Ki | = | 65000.0 | nM | 4.19 | TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in SKPT cells | 15567297 |
Literature References
Data from ChEMBL 36 via Core Engine