Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01385
|
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| Drug Name |
Labetalol
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| Synonyms |
Albetol; Ibidomide; Labetalolum; Labetolol; NORMOZIDE; AH 5158; AH-5158; Labetalol (INN); Labetalol [INN:BAN]; Labetalolum [INN-Latin]; Normodyne (TN); Sch-19927; Trandate (TN); 2-Hydroxy-5-(1-hydroxy-2-((1-methyl-3-phenylpropyl)amino)ethyl)benzamide; 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide; 2-hydroxy-5-{1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl}benzamide; 3-Carboxamido-4-hydroxy-alpha-((1-methyl-3-phenylpropylamino)methyl)benzyl alcohol; 5-(1-Hydroxy-2-(1-methyl-3-phenylpropylamino)ethyl)salicylamide
|
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| Drug Type |
Small molecular drug
|
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| Indication | Hypertension [ICD11:BA00] | Approved | [1] | |||
| Therapeutic Class |
Antihypertensive Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C19H24N2O3
|
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| Canonical SMILES |
CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O
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| InChI |
InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
|
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| InChIKey |
SGUAFYQXFOLMHL-UHFFFAOYSA-N
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| CAS Number |
CAS 36894-69-6
|
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| Pharmaceutical Properties | Molecular Weight | 328.4 | Topological Polar Surface Area | 95.6 | ||
| Heavy Atom Count | 24 | Rotatable Bond Count | 8 | |||
| Hydrogen Bond Donor Count | 4 | Hydrogen Bond Acceptor Count | 4 | |||
| XLogP |
3.1
|
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| PubChem CID | ||||||
| PubChem SID |
9275
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,7979714
,8152441
,11335649
,11360888
,11364501
,11367063
,11369625
,11372741
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,11377787
,11461860
,11466305
,11467425
,11484641
,11486109
,11488679
,11491396
,11491999
,11495421
,14777379
,29222985
,46505511
,47216734
,47736423
,47885363
,48184950
,48259181
,48259182
,48259183
,48259184
,48416150
,49698939
,49832659
,49876891
,50105268
,53790399
,56413046
,56464163
,57322029
,77168696
,85209992
,85788805
,90341718
,92716935
,96024796
,103165317
,104304757
,118314781
|
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| ChEBI ID |
ChEBI:6343
|
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | OATP1A2 | Transporter Info | Organic anion transporting polypeptide 1A2 | Substrate | [2] | |
| P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [3] | ||
| References | ||||||
| 1 | Labetalol was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Involvement of influx and efflux transport systems in gastrointestinal absorption of celiprolol. J Pharm Sci. 2009 Jul;98(7):2529-39. | |||||
| 3 | Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007. | |||||
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