Compound Detail
CHEMBL1200558
BACITRACIN 💊 Approved Drug
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💊 Approved Drug
CC[C@H](C)[C@H](N)C1=N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1
Basic Information
| ChEMBL ID | CHEMBL1200558 |
| Name | BACITRACIN |
| Phase | Approved |
| Structure Type | BOTH |
| InChI Key | CLKOFPXJLQSYAH-ABRJDSQDSA-N |
| Therapeutic | ✓ Yes |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
22
Known Names
8
Indications
1
Mechanisms
Molecular Properties
1422.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| First Approval | 1948 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| C55-isoprenyl pyrophosphate inhibitor | INHIBITOR | C55-isoprenyl pyrophosphate | ✓ | ✓ |
Indications
Bacterial Infections Burns Eye Infections Infections Pneumonia Arrhythmias, Cardiac Paranasal Sinus Diseases Osteomyelitis
ATC Classification
D06AX05
bacitracin
Level 1: DERMATOLOGICALS
Level 2: ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
J01XX10
bacitracin
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
R02AB04
bacitracin
Level 1: RESPIRATORY SYSTEM
Level 2: THROAT PREPARATIONS
S01AA32
bacitracin
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS
Drug Warnings
Black Box Warning
nephrotoxicity
Activity Summary
IC50 5 meas. best 5.72
Ki 1 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 5.87 | 5.87 | 1354.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.72 | 5.72 | 1923.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 5.53 | 5.53 | 2978.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.27 | 5.27 | 5377.0 | 1 |
| Undecaprenyl-diphosphatase CHEMBL4295581 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B | Ki | = | 1354.0 | nM | 5.87 | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: ... | - |
| Tyrosine-protein kinase Lck | IC50 | = | 1923.0 | nM | 5.72 | DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:... | - |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 2978.0 | nM | 5.53 | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: ... | - |
| Epidermal growth factor receptor | IC50 | = | 5377.0 | nM | 5.27 | DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: ... | - |
| Undecaprenyl-diphosphatase | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of Escherichia coli UPPP expressed in Escherichia coli C41(DE3) using... | 29459278 |
Literature References
Data from ChEMBL 36 via Core Engine