Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00293
|
|||||
| Drug Name |
Pyroglutamic acid
|
|||||
| Synonyms |
5-oxoproline; PCA; pidolic acid
|
|||||
| Drug Type |
Small molecular drug
|
|||||
| Indication | Discovery agent [ICD11:N.A.] | Investigative | ||||
| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C5H7NO3
|
|||||
| Canonical SMILES |
C1CC(=O)NC1C(=O)O
|
|||||
| InChI |
InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
|
|||||
| InChIKey |
ODHCTXKNWHHXJC-UHFFFAOYSA-N
|
|||||
| CAS Number |
CAS 98-79-3
|
|||||
| Pharmaceutical Properties | Molecular Weight | 129.11 | Topological Polar Surface Area | 66.4 | ||
| Heavy Atom Count | 9 | Rotatable Bond Count | 1 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 3 | |||
| XLogP |
-0.8
|
|||||
| PubChem CID | ||||||
| PubChem SID |
103146210
,103205643
,104295009
,104668212
,10508678
,10539043
,117546335
,117609232
,124385330
,124812473
,125326244
,125341550
,125349968
,125377014
,126523585
,126595700
,126613855
,126678637
,126688131
,14747636
,24438867
,24857617
,25621698
,26699389
,29820541
,3139885
,36493859
,427849
,50086852
,5078796
,51075644
,51075645
,57320250
,57566652
,57929548
,605293
,78579986
,81040399
,81040605
,8145045
,8150666
,85089081
,85089082
,85089083
,85246216
,87570275
,88834734
,92297653
,93621465
,95967
|
|||||
| ChEBI ID |
CHEBI:16080
|
|||||
| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | MCT1 | Transporter Info | Monocarboxylate transporter 1 | Substrate | [1] | |
| Drug-Transporter Activity Data | ||||||
| Drug-Transporter Activity Data | MCT1 | Transporter Info | Km =4 microM | Oocytes-MCT1 | [1] | |
| References | ||||||
| 1 | Interaction of atorvastatin with the human glial transporter SLC16A1. Eur J Pharmacol. 2016 Oct 5;788:248-254. | |||||
If you find any error in data or bug in web service, please kindly report it to Dr. Li and Dr. Fu.