Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0AO5D
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| Former ID |
DIB018480
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| Drug Name |
1400W
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| Synonyms |
N-(3-(Aminomethyl)benzyl)acetamidine; N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE; 180001-34-7; N-(3-(aminomethyl)benzyl)-acetamidine; n-[3-(aminomethyl)benzyl]ethanimidamide; CHEMBL107251; CHEBI:90721; N-{[3-(aminomethyl)phenyl]methyl}ethanimidamide; RODUKNYOEVZQPR-UHFFFAOYSA-N; n-[3-(aminomethyl)benzyl]acetamidine; N-(3-(aminomethyl)benzyl)acetimidamide; N-(3-Aminomethyl-benzyl)-acetamidine; CHEMBL544788; 14W; N-[[3-(Aminomethyl)phenyl]methyl]ethanimidamide; Bio1_001405; Tocris-1415; AC1Q4SXP; AC1L1BGT; Lopac-W-4262; W 1400; SCHEMBL4467; Lopac0_001258; W 1400; N-(3-(Aminomethyl)Benzyl)Acetamidine; N-(3-(aminomethyl)-benzyl)acetamidine
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2], [3] | |
| Structure |
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Download2D MOL |
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| Formula |
C10H15N3
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| Canonical SMILES |
CC(=NCC1=CC=CC(=C1)CN)N
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| InChI |
1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)
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| InChIKey |
RODUKNYOEVZQPR-UHFFFAOYSA-N
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| CAS Number |
CAS 180001-34-7
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| PubChem Compound ID | ||||
| PubChem Substance ID |
831299, 831308, 6901912, 7885015, 11111967, 11114075, 11120307, 11120795, 11121283, 11121656, 11122136, 11362725, 11365287, 11367849, 11370721, 11370722, 11373450, 11376011, 14748283, 24439771, 26752186, 26752187, 46507793, 47440020, 47662059, 47736240, 47959515, 48334249, 50074804, 50104843, 50104844, 53789084, 57320902, 78999485, 92310007, 99300919, 99302439, 103327181, 103838041, 103960539, 104097157, 104297722, 117516607, 124750361, 124881820, 124881821, 124881822, 124881823, 124881824, 125334777
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| ChEBI ID |
CHEBI:90721
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5102). | |||
| REF 2 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||
| REF 3 | N-Substituted acetamidines and 2-methylimidazole derivatives as selective inhibitors of neuronal nitric oxide synthase. Bioorg Med Chem Lett. 2010 Nov 15;20(22):6495-9. | |||
| REF 4 | 1400W is a slow, tight binding, and highly selective inhibitor of inducible nitric-oxide synthase in vitro and in vivo. J Biol Chem. 1997 Feb 21;272(8):4959-63. | |||
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