Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00681
|
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| Drug Name |
Diclofenac
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| Synonyms |
Diclofenac (sodium matrix patch, pain)
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| Drug Type |
Small molecular drug
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| Indication | Osteoarthritis of knee [ICD11:FA01] | Approved | [1] | |||
| Therapeutic Class |
Neurology Agents
|
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C14H11Cl2NO2
|
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| Canonical SMILES |
C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl
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| InChI |
InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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| InChIKey |
DCOPUUMXTXDBNB-UHFFFAOYSA-N
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| CAS Number |
CAS 15307-86-5
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| Pharmaceutical Properties | Molecular Weight | 296.1 | Topological Polar Surface Area | 49.3 | ||
| Heavy Atom Count | 19 | Rotatable Bond Count | 4 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 3 | |||
| XLogP |
4.4
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| PubChem CID | ||||||
| PubChem SID |
10509002
,11335447
,11335577
,11360686
,11360816
,11363824
,11364719
,11366386
,11367281
,11368948
,11369843
,11371489
,11372884
,11374190
,11375443
,11377110
,11378007
,11461658
,11461788
,11466622
,11467742
,11484817
,11486423
,11488807
,11490201
,11492321
,11494744
,14873560
,24424557
,29214789
,29222179
,46393862
,46504644
,46513484
,47365081
,47365082
,47662173
,47885304
,48184892
,4831
,5394317
,641516
,7887044
,7979066
,8027112
,8149635
,8151929
,827876
,832709
,837582
|
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| ChEBI ID |
CHEBI:47381
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| OATP1B3 | Transporter Info | Organic anion transporting polypeptide 1B3 | Substrate | [3] | ||
| References | ||||||
| 1 | Diclofenac was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Transport of diclofenac by breast cancer resistance protein (ABCG2) and stimulation of multidrug resistance protein 2 (ABCC2)-mediated drug transport by diclofenac and benzbromarone. Drug Metab Dispos. 2009 Jan;37(1):129-36. | |||||
| 3 | Influence of non-steroidal anti-inflammatory drugs on organic anion transporting polypeptide (OATP) 1B1- and OATP1B3-mediated drug transport. Drug Metab Dispos. 2011 Jun;39(6):1047-53. | |||||
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