Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01243
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| Drug Name |
N-acetylaspartylglutamate
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| Synonyms |
NAAG; isospaglumic acid; spaglumic acid
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| Drug Type |
Small molecular drug
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| Indication | Vernal Keratoconjunctivitis [ICD11:9A60.5] | Phase 4 | [1] | |||
| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C11H16N2O8
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| Canonical SMILES |
CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O
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| InChI |
InChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1
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| InChIKey |
OPVPGKGADVGKTG-BQBZGAKWSA-N
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| CAS Number |
CAS 3106-85-2
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| Pharmaceutical Properties | Molecular Weight | 304.25 | Topological Polar Surface Area | 170 | ||
| Heavy Atom Count | 21 | Rotatable Bond Count | 9 | |||
| Hydrogen Bond Donor Count | 5 | Hydrogen Bond Acceptor Count | 8 | |||
| XLogP |
-2.1
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| PubChem CID | ||||||
| PubChem SID |
103913863
,104171316
,10669851
,11112559
,11113480
,11335837
,113444559
,11361076
,11363293
,11365855
,11368417
,11371698
,11374703
,11376579
,11462048
,11467119
,11468239
,11485238
,11486787
,11489387
,11490575
,11492688
,11494213
,11537717
,124636732
,124882459
,128844339
,135651520
,136930122
,142202893
,144075620
,14825413
,162222804
,164174696
,26612503
,26680122
,26751698
,33510452
,47216778
,47216779
,47736484
,47810759
,47959745
,76680351
,7980673
,8150014
,85182292
,91011602
,92126028
,99301750
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| ChEBI ID |
CHEBI:73688
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | AST | Transporter Info | Vesicular H(+)/Aspartate-glutamate cotransporter | Substrate | [2] | |
| PEPT1 | Transporter Info | Peptide transporter 1 | Substrate | [3] | ||
| Drug-Transporter Activity Data | ||||||
| Drug-Transporter Activity Data | AST | Transporter Info | Km =200 microM | Proteoliposomes-Sialin | [2] | |
| References | ||||||
| 1 | ClinicalTrials.gov (NCT00357019) Study of the Clinical and Biological Efficacity of NAAXIA SINE in Vernal Keratoconjunctivitis | |||||
| 2 | Vesicular uptake of N-acetylaspartylglutamate is catalysed by sialin (SLC17A5). Biochem J. 2013 Aug 15;454(1):31-8. | |||||
| 3 | Molecular interactions between dipeptides, drugs and the human intestinal H+ -oligopeptide cotransporter hPEPT1. J Physiol. 2006 Jul 1;574(Pt 1):149-66. | |||||
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