Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00306
|
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| Drug Name |
Beta-alanine
|
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| Synonyms |
.beta.-Alanine; .beta.-Aminopropionic acid; 11P2JDE17B; 2-Carboxyethylamine; 3-Aminopropanoate; 3-Aminopropanoic acid; 3-Aminopropionic acid; 3-Aminopropionsaeure; 3-amino-propionic acid; AI3-18470; Abufene; Alanine, beta-; B-ALANINE; Beta Alanine; CHEBI:16958; CHEMBL297569; EINECS 203-536-5; FEMA No. 3252; H-beta-Ala-OH; MFCD00008200; NSC 7603; NSC7603; Propanoic acid, 3-amino-; UNII-11P2JDE17B; beta-Ala; beta-Alaine; beta-Alanine, 99%; beta-Aminopropionic acid; beta-Aminopropionsaeure; omega-Aminopropionic acid
|
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| Drug Type |
Small molecular drug
|
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| Indication | Muscle function [ICD11:VC01] | Phase 4 | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C3H7NO2
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| Canonical SMILES |
C(CN)C(=O)O
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| InChI |
InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
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| InChIKey |
UCMIRNVEIXFBKS-UHFFFAOYSA-N
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| CAS Number |
CAS 107-95-9
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| Pharmaceutical Properties | Molecular Weight | 89.09 | Topological Polar Surface Area | 63.3 | ||
| Heavy Atom Count | 6 | Rotatable Bond Count | 2 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 3 | |||
| XLogP |
-3
|
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| PubChem CID | ||||||
| PubChem SID |
103224450
,10503561
,10517185
,11113405
,15339064
,24438616
,24845823
,24848760
,24890435
,24891409
,24901588
,26737980
,26751644
,27506243
,29502802
,3136373
,3399
,46507739
,47217118
,48035466
,48110792
,48422950
,50065561
,51071927
,51091882
,5337095
,56437669
,57320064
,57939421
,589755
,608061
,73438
,75733345
,7886061
,7978774
,81040449
,8137904
,8144745
,8150523
,827129
,841408
,85083459
,85083460
,85164225
,85164232
,85164985
,87561862
,88683998
,92297544
,99224335
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| ChEBI ID |
ChEBI:16958
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | GAT2 | Transporter Info | Sodium- and chloride-dependent GABA transporter 2 | Substrate | [2] | |
| GAT3 | Transporter Info | Sodium- and chloride-dependent GABA transporter 3 | Substrate | [2] | ||
| TAUT | Transporter Info | Sodium- and chloride-dependent taurine transporter | Substrate | [2] | ||
| References | ||||||
| 1 | ClinicalTrials.gov (NCT03111979) The Effects of 4 Week beta-alanine Supplementation on Knee Extensor Contractile and Force Properties in the Over 60s | |||||
| 2 | Astrocytic -aminobutyric acid (GABA) transporters mediate guanidinoacetate transport in rat brain. 2018 Feb;113:1-7. | |||||
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