Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01475
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| Drug Name |
Butyrate
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| Synonyms |
butyric acid; butanoic acid; n-Butyric acid; 107-92-6; n-Butanoic acid; propylformic acid; ethylacetic acid; 1-propanecarboxylic acid; Butanic acid; butyrate; 1-Butyric acid; Buttersaeure; butanoate; Kyselina maselna; Butyric acid (natural); Propanecarboxylic acid; Buttersaeure [German]; 1-butanoic acid; FEMA Number 2221; Kyselina maselna [Czech]; FEMA No. 2221; CCRIS 6552; HSDB 940; butoic acid; Ethyacetic Acid; 2-butanoate; NSC 8415; UNII-40UIR9Q29H; UN2820; AI3-15306; EINECS 203-532-3; BRN 0906770; CH3-[CH2]2-COOH; 40UIR9Q29H
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| Drug Type |
Small molecular drug
|
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| Indication | Schizophrenia [ICD11:6A20] | Phase 2/3 | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C4H7O2-
|
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| Canonical SMILES |
CCCC(=O)[O-]
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| InChI |
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1
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| InChIKey |
FERIUCNNQQJTOY-UHFFFAOYSA-M
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| CAS Number |
CAS 461-55-2
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| Pharmaceutical Properties | Molecular Weight | 87.1 | Topological Polar Surface Area | 40.1 | ||
| Heavy Atom Count | 6 | Rotatable Bond Count | 1 | |||
| Hydrogen Bond Donor Count | 0 | Hydrogen Bond Acceptor Count | 2 | |||
| XLogP |
1.4
|
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| PubChem CID | ||||||
| PubChem SID |
3545
,74110
,584341
,587668
,639195
,829106
,841341
,3132316
,4802290
,7849658
,7886373
,8137924
,8145230
,8150539
,10318186
,10503556
,11120324
,11120812
,11121300
,11405819
,11447352
,11528267
,15363437
,24424045
,24438641
,24851531
,24891550
,24900934
,24900935
,26711808
,26715116
,26746547
,30339108
,30388555
,31062314
,32452557
,37374541
,37388172
,37904320
,46393305
,46505927
,48414707
,48417171
,48423012
,53787580
,56464546
,57320085
,76464313
,81062787
,81064461
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| ChEBI ID |
CHEBI:17968
|
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| MCT1 | Transporter Info | Monocarboxylate transporter 1 | Substrate | [3] | ||
| References | ||||||
| 1 | ClinicalTrials.gov (NCT03010865) Sodium Butyrate For Improving Cognitive Function In Schizophrenia | |||||
| 2 | The short-chain fatty acid butyrate is a substrate of breast cancer resistance protein. Am J Physiol Cell Physiol. 2011 Nov;301(5):C984-94. | |||||
| 3 | Overview of the proton-coupled MCT (SLC16A) family of transporters: characterization, function and role in the transport of the drug of abuse gamma-hydroxybutyric acid. AAPS J. 2008 Jun;10(2):311-21. | |||||
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