Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01357
|
|||||
| Drug Name |
Olopatadine
|
|||||
| Synonyms |
Allelock; Opatanol; Pataday; Patanase; Patanol; OLOPATADINE HCl; OLOPATADINE HYDROCHLORIDE; ALO4943A; HCl of KW 4679; KW 4679; O0361; AL-4943A; ALO-4943A; Allelock (TN); KW-4679; KW-4943A; Olopatadine [INN:BAN]; Pataday (TN); Patanase (TN); Patanol S (TN); {(11Z)-11-[3-(dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid; 11-((Z)-3-(Dimethylamino)propylidene)-6,11-dihydrodibenz(b,e)oxepin-2-acetic acid; 11-((Z)-3-(Dimethylamino)propylidene)-6,11-dihydrodibenz(b,e)oxepin-2-acetic acid hydrochloride; 11-((Z)-3-(Dimethylamino)propylidene)-6,11-dihydrodibenz(b,e)oxepin-2-acetic acid, hydrochloride; 11-(3-(dimethylamino)propylidene)-6,11-dihydrodibenz(b,e)oxepin-2-acetic acid; 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid; 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid hydrochloride
|
|||||
| Drug Type |
Small molecular drug
|
|||||
| Indication | Itching of the eye due to allergic conjunctivitis [ICD11:9A60.02] | Approved | [1] | |||
| Therapeutic Class |
Antiallergic Agents
|
|||||
| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C21H23NO3
|
|||||
| Canonical SMILES |
CN(C)CCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O
|
|||||
| InChI |
InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-
|
|||||
| InChIKey |
JBIMVDZLSHOPLA-LSCVHKIXSA-N
|
|||||
| CAS Number |
CAS 113806-05-6
|
|||||
| Pharmaceutical Properties | Molecular Weight | 337.4 | Topological Polar Surface Area | 49.8 | ||
| Heavy Atom Count | 25 | Rotatable Bond Count | 5 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 4 | |||
| XLogP |
1.5
|
|||||
| PubChem CID | ||||||
| PubChem SID |
9991
,8616501
,14851325
,39289993
,46506025
,49830421
,50064183
,50339892
,53788070
,57357997
,85209467
,92308886
,93166443
,96024980
,103916408
,113854504
,117867960
,118048374
,118313762
,124974068
,126682737
,131839756
,134338320
,135076611
,137005453
,137233305
,142121621
,160964111
,163669016
,170499432
,175266654
,175435402
,176484058
,176484854
,177749229
,178103823
,179149624
,179225235
,184623003
,223655359
,224131802
,226396615
,251916843
,251918082
,251960673
,252391226
,252429690
,252671957
|
|||||
| ChEBI ID |
CHEBI:94593
|
|||||
| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Olopatadine was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007. | |||||
If you find any error in data or bug in web service, please kindly report it to Dr. Li and Dr. Fu.