Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00004
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| Drug Name |
Gaboxadol
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| Synonyms |
4,5,6,7-Tetrahydroisoxazole(5,4-c)pyridin-3-ol; 4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol; 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one; Gaboxadol (USAN/INN); Gaboxadol [USAN:INN]; Gaboxadolum; Gaboxadolum [Latin]; Isoxazolo(5,4-c)pyridin-3(2H)-one, 4,5,6,7-tetrahydro-, hydrate; LU 2030; LU-2-030; Lu 02-030; Lu-02-030; MK-0928; THIP
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| Drug Type |
Small molecular drug
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| Indication | Insomnia [ICD11:7A0Z] | Discontinued in Phase 3 | [1] | |||
| Therapeutic Class |
Hypnotics and Sedatives
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C6H8N2O2
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| Canonical SMILES |
C1CNCC2=C1C(=O)NO2
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| InChI |
InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)
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| InChIKey |
ZXRVKCBLGJOCEE-UHFFFAOYSA-N
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| CAS Number |
CAS 64603-91-4
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| Pharmaceutical Properties | Molecular Weight | 140.14 | Topological Polar Surface Area | 50.4 | ||
| Heavy Atom Count | 10 | Rotatable Bond Count | 0 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 3 | |||
| XLogP |
-0.9
|
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| PubChem CID | ||||||
| PubChem SID |
103286434
,104121647
,11111836
,11111837
,11113715
,11335386
,11360625
,11364378
,11366940
,11369502
,11371576
,11373822
,11377664
,11461597
,11467000
,11468120
,11485296
,11486650
,11489406
,11490544
,11491987
,11495298
,12015406
,14747760
,15194598
,26751902
,29222582
,47206216
,47211771
,47365059
,47515197
,47588874
,47885286
,47959606
,47959607
,48110332
,48184876
,48259099
,49698969
,49987818
,50104580
,50684001
,5651498
,5694188
,57321806
,586282
,7980780
,81065560
,8152193
,90341079
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| ChEBI ID |
ChEBI:34373
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | PAT1 | Transporter Info | Proton-coupled amino acid transporter 1 | Substrate | [2] | |
| References | ||||||
| 1 | ClinicalTrials.gov (NCT00209937) A Prospective Active-Reference Study of Gaboxadol in Primary Insomnia | |||||
| 2 | Intestinal gaboxadol absorption via PAT1 (SLC36A1): modified absorption in vivo following co-administration of L-tryptophan. Br J Pharmacol. 2009 Aug;157(8):1380-9. | |||||
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