Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01348
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| Drug Name |
Benzamil
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| Synonyms |
Benzamil; 2898-76-2; UNII-04659UUJ94; N-(N-Benzylamidino)-3,5-diamino-6-chloropyrazine carboxamide; GNF-Pf-192; CHEMBL212579; CHEBI:34558; 04659UUJ94; 3,5-Diamino-6-chloro-N-(imino((phenylmethyl)amino)methyl)pyrazinecarboxamide; 3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-chloropyrazine-2-carboxamide; Pyrazinecarboxamide, 3,5-diamino-6-chloro-N-(imino((phenylmethyl)amino)methyl)-; Spectrum3_001823; Prestwick1_000657; Prestwick3_000657; Prestwick2_000657; Prestwick0_000657; Lopac-B-2417; AC1L33CQ; Lopac0_000211; KBioGR_000300
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| Drug Type |
Small molecular drug
|
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| Indication | Cystic fibrosis [ICD11:CA25] | Preclinical | [1] | |||
| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C13H14ClN7O
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| Canonical SMILES |
C1=CC=C(C=C1)CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N
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| InChI |
InChI=1S/C13H14ClN7O/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22)
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| InChIKey |
KXDROGADUISDGY-UHFFFAOYSA-N
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| CAS Number |
CAS 2898-76-2
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| Pharmaceutical Properties | Molecular Weight | 319.75 | Topological Polar Surface Area | 145 | ||
| Heavy Atom Count | 22 | Rotatable Bond Count | 4 | |||
| Hydrogen Bond Donor Count | 4 | Hydrogen Bond Acceptor Count | 6 | |||
| XLogP |
1.7
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| PubChem CID | ||||||
| PubChem SID |
586340
,621649
,4997149
,11110839
,11110840
,11120241
,11120729
,11121217
,11121645
,11122125
,11336176
,11361415
,11362714
,11365276
,11367838
,11370699
,11370700
,11373064
,11373439
,11376000
,11462387
,11466685
,11467805
,11486350
,11491638
,15248269
,26755660
,26755661
,44437002
,47870415
,47870416
,48019678
,48019679
,48095241
,48244091
,48318723
,48319195
,48319196
,48394633
,49698609
,50068048
,50110974
,50110975
,50686741
,53849316
,57338445
,85787710
,85787961
,90341795
,92309106
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| ChEBI ID |
CHEBI:34558
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | 1-Oct | Transporter Info | Organic cation transporter 1 | Substrate | [2] | |
| References | ||||||
| 1 | The effect of topical benzamil and amiloride on nasal potential difference in cystic fibrosis. Eur Respir J. 1999 Sep;14(3):693-6. | |||||
| 2 | Identification of novel substrates and structure-activity relationship of cellular uptake mediated by human organic cation transporters 1 and 2. J Med Chem. 2013 Sep 26;56(18):7232-42. | |||||
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