Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D00QAR
|
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| Former ID |
DNC000302
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| Drug Name |
Benzylpenicillin
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Phase 3 | [523554] | ||
| Structure |
|
Download2D 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 |
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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| PubChem Compound ID | |||||
| PubChem Substance ID |
7885, 617709, 820202, 841337, 7849395, 7889969, 7980271, 8144852, 8153657, 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, 79379468, 81066337, 81093162, 85244562, 85788897, 85789209
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| ChEBI ID |
ChEBI:18208
|
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| SuperDrug ATC ID |
J01CE01; S01AA14
|
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| SuperDrug CAS ID |
cas=000061336
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| Target and Pathway | |||||
| Target(s) | Penicillin binding protein 3 | Target Info | Binder | [535176] | |
| Penicillin binding protein1 | Target Info | Binder | [535351] | ||
| References | |||||
| Ref 535176 | Association of amino acid substitutions in penicillin-binding protein 3 with beta-lactam resistance in beta-lactamase-negative ampicillin-resistant Haemophilus influenzae. Antimicrob Agents Chemother. 2001 Jun;45(6):1693-9. | ||||
| Ref 535351 | Overexpression, purification and biochemical characterization of a class A high-molecular-mass penicillin-binding protein (PBP), PBP1* and its soluble derivative from Mycobacterium tuberculosis. Biochem J. 2002 Feb 1;361(Pt 3):635-9. | ||||
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