Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00203
|
|||||
| Drug Name |
Aspirin
|
|||||
| Synonyms |
2-Acetoxybenzoic acid; 50-78-2; ACETYLSALICYLIC ACID; Acenterine; Aceticyl; Acetonyl; Acetophen; Acetosal; Acetosalin; Acetylin; Acetylsalicylate; Acidum acetylsalicylicum; Acylpyrin; Aspergum; Aspirdrops; Benaspir; Colfarit; Easprin; Ecolen; Ecotrin; Empirin; Endydol; Enterosarein; Globentyl; Micristin; O-Acetylsalicylic acid; Pharmacin; Polopiryna; Pravigard; Premaspin; Rheumintabletten; Rhodine; Salcetogen; Saletin; Salicylic acid acetate; Solprin acid; Temperal; o-Acetoxybenzoic acid; o-Carboxyphenyl acetate
|
|||||
| Drug Type |
Small molecular drug
|
|||||
| Indication | Pain [ICD11:MG30-MG7Z] | Approved | [1] | |||
| Therapeutic Class |
Analgesics
|
|||||
| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C9H8O4
|
|||||
| Canonical SMILES |
CC(=O)OC1=CC=CC=C1C(=O)O
|
|||||
| InChI |
InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
|
|||||
| InChIKey |
BSYNRYMUTXBXSQ-UHFFFAOYSA-N
|
|||||
| CAS Number |
CAS 50-78-2
|
|||||
| Pharmaceutical Properties | Molecular Weight | 180.16 | Topological Polar Surface Area | 63.6 | ||
| Heavy Atom Count | 13 | Rotatable Bond Count | 3 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 4 | |||
| XLogP |
1.2
|
|||||
| PubChem CID | ||||||
| PubChem SID |
10524572
,11110749
,11335730
,11360969
,11364139
,11364685
,11366701
,11367247
,11369263
,11369809
,11372248
,11372850
,11373537
,11375409
,11377425
,11377972
,11406615
,11461941
,11485574
,11489715
,11491110
,11491914
,11495059
,15195166
,17389202
,17390036
,17404602
,24278218
,24714725
,24890623
,24890723
,24891140
,26611613
,26679412
,26717767
,3135921
,4594
,476106
,5261264
,602429
,7847177
,7885805
,7978731
,8143164
,8149208
,8151516
,829042
,832958
,840714
,87798
|
|||||
| ChEBI ID |
ChEBI:15365
|
|||||
| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | NPT1 | Transporter Info | Sodium-dependent phosphate transport protein 1 | Substrate | [2] | |
| OAT2 | Transporter Info | Organic anion transporter 2 | Substrate | [3] | ||
| P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [4] | ||
| SLC17A4 | Transporter Info | Probable small intestine urate exporter | Substrate | [5] | ||
| Drug-Transporter Activity Data | ||||||
| Drug-Transporter Activity Data | NPT1 | Transporter Info | Km =1900 microM | Oocytes-NPT1 | [2] | |
| References | ||||||
| 1 | Rosuvastatin was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Type 1 sodium-dependent phosphate transporter (SLC17A1 Protein) is a Cl(-)-dependent urate exporter. J Biol Chem. 2010 Aug 20;285(34):26107-13. | |||||
| 3 | Identification of multispecific organic anion transporter 2 expressed predominantly in the liver. FEBS Lett. 1998 Jun 12;429(2):179-82. | |||||
| 4 | Caco-2 permeability, P-glycoprotein transport ratios and brain penetration of heterocyclic drugs. Int J Pharm. 2003 Sep 16;263(1-2):113-22. | |||||
| 5 | A Na+-phosphate cotransporter homologue (SLC17A4 protein) is an intestinal organic anion exporter. Am J Physiol Cell Physiol. 2012 Jun 1;302(11):C1652-60. | |||||
If you find any error in data or bug in web service, please kindly report it to Dr. Li and Dr. Fu.