Compound Detail
CHEMBL680
CEFACLOR ANHYDROUS 💊 Approved Drug
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💊 Approved Drug
N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL680 |
| Name | CEFACLOR ANHYDROUS |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | QYIYFLOTGYLRGG-GPCCPHFNSA-N |
| Therapeutic | ✓ Yes |
6
Targets
11
Activities
3
Assay Types
15
PK Parameters
20
Publications
1
Known Names
Molecular Properties
367.8
MW (Da)
0.62
ALogP
5
HBA
3
HBD
112.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1979 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Activity Summary
Ki 5 meas. best 4.54
EC50 3 meas. best 6.33
IC50 3 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 6.33 | 6.33 | 465.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.25 | 6.25 | 559.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.88 | 5.88 | 1316.0 | 1 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.14 | 5.14 | 7184.0 | 1 |
| Solute carrier family 15 member 2 CHEMBL1743125 | Ki | 4.54 | 4.54 | 28840.3 | 2 |
| Solute carrier family 15 member 2 CHEMBL3325 | Ki | 4.54 | 4.54 | 29000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 13200.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 9490.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 730.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 10300.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 7020.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 670.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 22100.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 16600.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 11530.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 700.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 17600.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 13700.0 | ng.hr.mL-1 | Homo sapiens |
| F | 76.0 | % | Mus musculus |
| F | 90.0 | % | Homo sapiens |
| T1/2 | 0.734 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 465.0 | nM | 6.33 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 559.0 | nM | 6.25 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 1316.0 | nM | 5.88 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 7184.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| Solute carrier family 15 member 2 | Ki | = | 29000.0 | nM | 4.54 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 2 | Ki | = | 28840.32 | nM | 4.54 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 2 | Ki | = | 29000.0 | nM | 4.54 | TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in SKPT cells | 15567297 |
Literature References
Data from ChEMBL 36 via Core Engine