Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00488
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| Drug Name |
Benzylpenicillin
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| Synonyms |
6-(2-Phenylacetamido)penicillanic acid; 61-33-6; Bencilpenicilina; Benzopenicillin; Benzyl penicillin; Benzyl-6-aminopenicillinic acid; Benzylpenicillin G; Benzylpenicilline; Benzylpenicillinic acid; Benzylpenicillinum; Cilloral; Cilopen; Compocillin G; Cosmopen; Dropcillin; Free benzylpenicillin; Free penicillin G; Free penicillin II; Galofak; Gelacillin; Liquacillin; Pencillin G; Penicilling; Pfizerpen; Pharmacillin; Phenylacetamidopenicillanic acid; Pradupen; Specilline G; Ursopen
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| Drug Type |
Small molecular drug
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| Indication | Gram-positive bacteria infections [ICD11:1A00-1H0Z] | Phase 4 | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C16H18N2O4S
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| Canonical SMILES |
CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C
|
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| InChI |
InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
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| InChIKey |
JGSARLDLIJGVTE-MBNYWOFBSA-N
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| CAS Number |
CAS 1110-47-0
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| Pharmaceutical Properties | Molecular Weight | 334.4 | Topological Polar Surface Area | 112 | ||
| Heavy Atom Count | 23 | Rotatable Bond Count | 4 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 5 | |||
| XLogP |
1.8
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| PubChem CID | ||||||
| PubChem SID |
11335491
,11360730
,11363827
,11366389
,11368951
,11371783
,11374081
,11377113
,11461702
,11467106
,11468226
,11484211
,11486734
,11488334
,11490358
,11492286
,11494747
,14875396
,15348041
,26711903
,29215263
,29224931
,46506778
,47291043
,47365102
,47588906
,47736376
,48035012
,48184904
,48184905
,49647119
,50050765
,53787815
,57323037
,57588014
,617709
,7849395
,7885
,7889969
,79379468
,7980271
,81066337
,81093162
,8144852
,8153657
,820202
,841337
,85244562
,85788897
,85789209
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| ChEBI ID |
ChEBI:18208
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | OAT3 | Transporter Info | Organic anion transporter 3 | Substrate | [2] | |
| OATP1B1 | Transporter Info | Organic anion transporting polypeptide 1B1 | Substrate | [3] | ||
| OATP1B3 | Transporter Info | Organic anion transporting polypeptide 1B3 | Substrate | [4] | ||
| OATP2B1 | Transporter Info | Organic anion transporting polypeptide 2B1 | Substrate | [5] | ||
| OATP3A1 | Transporter Info | Organic anion transporting polypeptide 3A1 | Substrate | [5] | ||
| OATP4A1 | Transporter Info | Organic anion transporting polypeptide 4A1 | Substrate | [5] | ||
| PEPT1 | Transporter Info | Peptide transporter 1 | Substrate | [6] | ||
| References | ||||||
| 1 | ClinicalTrials.gov (NCT03632642) Penicillin Against Flucloxacillin Treatment Evaluation | |||||
| 2 | Prediction of the overall renal tubular secretion and hepatic clearance of anionic drugs and a renal drug-drug interaction involving organic anion transporter 3 in humans by in vitro uptake experiments. Drug Metab Dispos. 2011 Jun;39(6):1031-8. | |||||
| 3 | Organic anion transporting polypeptide 1B1: a genetically polymorphic transporter of major importance for hepatic drug uptake. Pharmacol Rev. 2011 Mar;63(1):157-81. | |||||
| 4 | Molecular characterization and inhibition of amanitin uptake into human hepatocytes. Toxicol Sci. 2006 May;91(1):140-9. | |||||
| 5 | Molecular identification and characterization of novel members of the human organic anion transporter (OATP) family. Biochem Biophys Res Commun. 2000 Jun 24;273(1):251-60. | |||||
| 6 | Drug transport in corneal epithelium and blood-retina barrier: emerging role of transporters in ocular pharmacokinetics. Adv Drug Deliv Rev. 2006 Nov 15;58(11):1136-63. | |||||
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