Drug Information

General Information
Drug ID
DR00071
Drug Name
Valsartan
Synonyms
(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid; (S)-N-valeryl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]-methyl}-valine; (s)-2-(n-((2'-(1h-tetrazol-5-yl)biphenyl-4-yl)methyl)pentanamido)-3-methylbutanoic acid; Aventis brand of valsartan; CEPA brand of valsartan; CGP 48933; CGP-48933; Diovan; Diovan (TN); Diovan, Valsartan; Esteve brand of valsartan; Kalpress; L-Valine, N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-(9CI); Lacer brand of valsartan; Miten; N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-L-valine; N-(p-(o-1H-Tetrazol-5-ylphenyl)benzyl)-N-valeryl-L-valine; N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-L-valine; N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-L-valine; N-valeryl-N-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)valine; Nisis; Novartis brand of valsartan; Provas; Sanol brand of valsartan; Schwarz brand of valsartan; Tareg; Vals; Valsarran; Valsartan (JAN/USAN/INN); Valsartan [USAN:INN]; Valtan (TN); Valzaar (TN); Walsartan
Drug Type
Small molecular drug
Indication High blood pressure [ICD11:BA00] Approved [1]
Therapeutic Class
Antihypertensive Agents
Structure
3D MOL 2D MOL
Formula
C24H29N5O3
Canonical SMILES
CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O
InChI
InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
InChIKey
ACWBQPMHZXGDFX-QFIPXVFZSA-N
CAS Number
CAS 137862-53-4
Pharmaceutical Properties Molecular Weight 435.5 Topological Polar Surface Area 112
Heavy Atom Count 32 Rotatable Bond Count 10
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
XLogP
4.4
PubChem CID
60846
PubChem SID
103292815 ,103979540 ,104253413 ,104321799 ,11066615 ,11364700 ,11367262 ,11369824 ,11373100 ,11374217 ,11377988 ,11484996 ,11488936 ,11491646 ,11492564 ,11495610 ,117541337 ,117664453 ,119526522 ,123055291 ,124659015 ,124757534 ,124800101 ,125164338 ,14856825 ,14881173 ,26612829 ,26719825 ,43118184 ,46386599 ,46509000 ,46530915 ,47499543 ,48393917 ,49681716 ,49830875 ,50062253 ,50467452 ,53787275 ,57314146 ,7847466 ,81093312 ,85788951 ,90452226 ,92124805 ,92308052 ,92308462 ,92711441 ,93166503 ,99228303
ChEBI ID
ChEBI:9927
TTD Drug ID
D06UDG
DT(s) Transporting This Drug MRP2 Transporter Info Multidrug resistance-associated protein 2 Substrate [2]
OAT3 Transporter Info Organic anion transporter 3 Substrate [3]
OATP1B1 Transporter Info Organic anion transporting polypeptide 1B1 Substrate [4]
OATP1B3 Transporter Info Organic anion transporting polypeptide 1B3 Substrate [2]
PEPT1 Transporter Info Peptide transporter 1 Substrate [5]
Drug-Transporter Activity Data
Drug-Transporter Activity Data MRP2 Transporter Info Km =30.4 microM LLC-PK1 cells-MRP2 [2]
OATP1B1 Transporter Info Km =17.8 microM Chinese hamster ovary (CHO) cells-OATP1B1 [6]
OATP1B1 Transporter Info Km =1.39 microM Human embryonic kidney cells (HEK293)-OATP1B1 [2]
OATP1B3 Transporter Info Km =23.5 microM Chinese hamster ovary (CHO) cells-OATP1B3 [6]
OATP1B3 Transporter Info Km =18.2 microM Human embryonic kidney cells (HEK293)-OATP1B3 [2]
References
1 Valsartan was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Involvement of transporters in the hepatic uptake and biliary excretion of valsartan, a selective antagonist of the angiotensin II AT1-receptor, in humans. Drug Metab Dispos. 2006 Jul;34(7):1247-54.
3 Prediction of the overall renal tubular secretion and hepatic clearance of anionic drugs and a renal drug-drug interaction involving organic anion transporter 3 in humans by in vitro uptake experiments. Drug Metab Dispos. 2011 Jun;39(6):1031-8.
4 Regulation of Organic Anion Transporting Polypeptides (OATP) 1B1- and OATP1B3-Mediated Transport: An Updated Review in the Context of OATP-Mediated Drug-Drug Interactions. Int J Mol Sci. 2018 Mar 14;19(3). pii: E855.
5 High-affinity interaction of sartans with H+/peptide transporters. Drug Metab Dispos. 2009 Jan;37(1):143-9.
6 Prediction of pharmacokinetic profile of valsartan in human based on in vitro uptake transport data. J Pharmacokinet Pharmacodyn. 2009 Dec;36(6):585-611.

If you find any error in data or bug in web service, please kindly report it to Dr. Li and Dr. Fu.