Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00064
|
|||||
| Drug Name |
Indacaterol
|
|||||
| Synonyms |
5-(2-(5,6-Diethylindan-2-ylamino)-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one; 5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one; Indacaterol (USAN/INN); QAB-149
|
|||||
| Drug Type |
Small molecular drug
|
|||||
| Indication | Chronic obstructive pulmonary disease [ICD11:CA22] | Approved | [1] | |||
| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C24H28N2O3
|
|||||
| Canonical SMILES |
CCC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC
|
|||||
| InChI |
InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1
|
|||||
| InChIKey |
QZZUEBNBZAPZLX-QFIPXVFZSA-N
|
|||||
| CAS Number |
CAS 312753-06-3
|
|||||
| Pharmaceutical Properties | Molecular Weight | 392.5 | Topological Polar Surface Area | 81.6 | ||
| Heavy Atom Count | 29 | Rotatable Bond Count | 6 | |||
| Hydrogen Bond Donor Count | 4 | Hydrogen Bond Acceptor Count | 4 | |||
| XLogP |
3.3
|
|||||
| PubChem CID | ||||||
| PubChem SID |
103751149
,104152520
,114788160
,126665799
,134339311
,135252041
,136946521
,137248550
,137261964
,140383548
,144116077
,14805326
,15126362
,152258566
,152343993
,160645865
,160647401
,162011653
,162197410
,164227489
,164777215
,17194957
,172919100
,174528841
,175266645
,175426936
,187051758
,189561508
,198991946
,223601296
,223667503
,223701040
,224342928
,226432041
,241382349
,246478537
,247088325
,251916861
,251918100
,252063646
,252110200
,252436254
,43529924
,50944939
,96025998
|
|||||
| ChEBI ID |
ChEBI:68575
|
|||||
| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | 1-Oct | Transporter Info | Organic cation transporter 1 | Substrate | [2] | |
| P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [3] | ||
| References | ||||||
| 1 | Indacaterol was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Identification of novel substrates and structure-activity relationship of cellular uptake mediated by human organic cation transporters 1 and 2. J Med Chem. 2013 Sep 26;56(18):7232-42. | |||||
| 3 | KEGG: new perspectives on genomes, pathways, diseases and drugs. Nucleic Acids Res. 2017 Jan 4;45(D1):D353-D361. (dg:DG01665) | |||||
If you find any error in data or bug in web service, please kindly report it to Dr. Li and Dr. Fu.