Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00703
|
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| Drug Name |
Benzoic acid
|
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| Synonyms |
3230-EP2316457A1; 3230-EP2316825A1; 3230-EP2372017A1; 3230-EP2374454A1; 4-Carboxybenzenide; 766-76-7; AC1L18SS; AC1Q1HDY; AC1Q22CA; BDBM36181; Benzene formic acid; Benzenecarboxylate; Benzeneformate; Benzenemethanoate; Benzoic acid, ion(1-); CHEBI:16150; CJ-00025; CTK2H9612; DTXSID4043771; GTPL4565; LS-190261; NCGC00247905-01; Oracyclic acid; Phenyl carboxylic acid; Phenylcarboxylate; Phenylformate; Retarded BA; STL483236; Tennplas; WPYMKLBDIGXBTP-UHFFFAOYSA-M; ZB000218; ZINC328578076; benzoate anion; benzoic acid anion
|
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| Drug Type |
Small molecular drug
|
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| Indication | Fungal infections [ICD11:1F20-1F2Z] | Approved | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C7H5O2-
|
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| Canonical SMILES |
C1=CC=C(C=C1)C(=O)[O-]
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| InChI |
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
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| InChIKey |
WPYMKLBDIGXBTP-UHFFFAOYSA-M
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| CAS Number |
CAS 65-85-0
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| Pharmaceutical Properties | Molecular Weight | 121.11 | Topological Polar Surface Area | 40.1 | ||
| Heavy Atom Count | 9 | Rotatable Bond Count | 0 | |||
| Hydrogen Bond Donor Count | 0 | Hydrogen Bond Acceptor Count | 2 | |||
| XLogP |
2.5
|
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| PubChem CID | ||||||
| PubChem SID |
103036888
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,104115367
,104294265
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,124954203
,125738852
,126677706
,126677909
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,127269902
,127269903
,127269904
,127269905
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,127269907
,127269908
,127269909
,127269910
,127269911
,127269912
,127269913
,127269914
,127269915
,127269916
,127269917
,127269918
,127269919
,127269920
,127269921
,127269922
,127269923
,127269924
,127269925
,14709706
,2163
,24438619
,34403347
,50073687
,57320067
,6412690
,75424540
,8143725
,8150526
,99437703
|
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| ChEBI ID |
CHEBI:16150
|
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | SMCT2 | Transporter Info | Sodium-coupled monocarboxylate transporter 2 | Substrate | [2] | |
| References | ||||||
| 1 | Phenylacetic acid was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Sodium-coupled monocarboxylate transporters in normal tissues and in cancer. AAPS J. 2008;10(1):193-9. | |||||
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