Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01436
|
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| Drug Name |
Procaterol
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| Synonyms |
Meptin; Procaterolo; Procaterolum; Procaterol Monohydrochloride; Procaterolo [DCIT]; Procaterolum [Latin]; Meptin (TN); OPC-2009; Procaterol (INN); Procaterol [INN:BAN]; Procaterolum [INN-Latin]; (R*,S*)-(+-)-8-Hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-2(1H)-quinolinone; 5-[1-hydroxy-2-(propan-2-ylamino)butyl]quinoline-2,8-diol; 8-Hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-2(1H)-quinolinone; 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
|
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| Drug Type |
Small molecular drug
|
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| Indication | Asthma [ICD11:CA23] | Approved | [1] | |||
| Therapeutic Class |
Bronchodilator Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C16H22N2O3
|
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| Canonical SMILES |
CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C
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| InChI |
InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)
|
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| InChIKey |
FKNXQNWAXFXVNW-UHFFFAOYSA-N
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| CAS Number |
CAS 72332-33-3
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| Pharmaceutical Properties | Molecular Weight | 290.36 | Topological Polar Surface Area | 81.6 | ||
| Heavy Atom Count | 21 | Rotatable Bond Count | 5 | |||
| Hydrogen Bond Donor Count | 4 | Hydrogen Bond Acceptor Count | 4 | |||
| XLogP |
1.5
|
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| PubChem CID | ||||||
| PubChem SID |
454662
,5236618
,5924829
,8153027
,11372838
,11485136
,11489366
,11491585
,29223994
,47656602
,50043736
,50970264
,53801069
,57322523
,81065493
,85229774
,85789425
,92712757
,94569084
,96025110
,103407759
,103828139
,104307789
,117595886
,117876433
,124883616
,124886884
,125750777
,126625247
,126645806
,126656534
,126684770
,127860626
,131847254
,134932224
,135010390
,135056338
,137162755
,137619468
,152100879
,162633404
,164814604
,166233164
,179150745
,179419093
,223679895
,226396591
,251916806
,251918045
,252356196
|
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| ChEBI ID |
CHEBI:91585
|
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | 1-Oct | Transporter Info | Organic cation transporter 1 | Substrate | [2] | |
| References | ||||||
| 1 | National Center for Advancing Translational Science-Inxight: drug (X7I3EMM5K0) | |||||
| 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. | |||||
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