Compound Detail
CHEMBL1082
AMOXICILLIN 💊 Approved Drug
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💊 Approved Drug
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1082 |
| Name | AMOXICILLIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | LSQZJLSUYDQPKJ-NJBDSQKTSA-N |
| Therapeutic | ✓ Yes |
3
Targets
9
Activities
3
Assay Types
30
PK Parameters
20
Publications
30
Known Names
20
Indications
1
Mechanisms
Molecular Properties
365.4
MW (Da)
0.02
ALogP
6
HBA
4
HBD
133.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1974 |
| Availability | Prescription |
| 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 Duodenal Ulcer Gonorrhea Infections Otitis Media Otitis Media Pharyngitis Pneumonia Respiratory Tract Infections Sinusitis Soft Tissue Infections Tonsillitis Tonsillitis Urinary Tract Infections Bronchitis Bronchitis, Chronic Cholecystitis Clostridium Infections Communicable Diseases Cystitis, Hemorrhagic
ATC Classification
J01CA04
amoxicillin
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
Ki 5 meas.
EC50 2 meas. best 6.82
IC50 2 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
| Bacillus subtilis CHEMBL359 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
| HaCaT CHEMBL614392 | IC50 | 4.53 | 4.53 | 29410.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | - | - | Mus musculus |
| AUC | 46000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 80000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 227000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 68000.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 73100.0 | ng.hr.mL-1 | - |
| AUC | 48700.0 | ng.hr.mL-1 | - |
| CL | 3.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 14.11 | mL.min-1.kg-1 | Chinchilla lanigera |
| CL | 26.19 | mL.min-1.kg-1 | Chinchilla lanigera |
| CL | 35.71 | mL.min-1.kg-1 | Chinchilla lanigera |
| CL | 23.17 | mL.min-1.kg-1 | Chinchilla lanigera |
| CL | 19.28 | mL.min-1.kg-1 | Chinchilla lanigera |
| CL | 15.57 | mL.min-1.kg-1 | Chinchilla lanigera |
| CL | 14.49 | mL.min-1.kg-1 | Chinchilla lanigera |
| CL | 24.15 | mL.min-1.kg-1 | Chinchilla lanigera |
| CL | 21.53 | mL.min-1.kg-1 | Chinchilla lanigera |
| CL | 26.79 | mL.min-1.kg-1 | Chinchilla lanigera |
| CL | 1.4 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 7.63 | L/hr | Homo sapiens |
| CL | 3.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 3.0 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| Cmax | - | - | Mus musculus |
| Cmax | 35576.48 | nM | Mus musculus |
| Cmax | 76626.26 | nM | Mus musculus |
| Cmax | 232615.42 | nM | Mus musculus |
| Cmax | 51996.39 | nM | Homo sapiens |
| Cmax | 80457.57 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | EC50 | = | 150.0 | nM | 6.82 | Antibacterial activity against Staphylococcus aureus NCIM 2010 assessed as reduc... | 35696863 |
| Bacillus subtilis | EC50 | = | 150.0 | nM | 6.82 | Antibacterial activity against Bacillus subtilis NCIM 2079 assessed as reduction... | 35696863 |
| HaCaT | IC50 | = | 29410.0 | nM | 4.53 | Cytotoxicity against human HaCaT cells after 24 hrs by MTT assay | 34223166 |
Literature References
Data from ChEMBL 36 via Core Engine