Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1429)
Drug Name
Ritodrine
Synonyms
Ritodrina; Prepar; Ritodrina [INN-Spanish]; Ritodrine [USAN:BAN:INN]; Ritodrinium; Ritodrinium [INN-Latin]; Yutopar; Yutopar S.R; ritodrine; DU-21220; RITODRINE HCL; 2-(4-Hydroxyphenethylamino)-1-(4-hydroxyphenyl)propanol; 26652-09-5; 4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol; 4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol; BRN 2388728; CHEBI:8872; EINECS 247-879-9; MLS002153782; p-Hydroxy-alpha-(1-((p-hydroxyphenethyl)amino)ethyl)benzyl alcohol
Indication Premature labour [ICD11: JB00] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 287.35 Topological Polar Surface Area 72.7
Heavy Atom Count 21 Rotatable Bond Count 6
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
33572
PubChem SID
9448 ; 7849418 ; 10782682 ; 11466377 ; 11467497 ; 11486074 ; 14922364 ; 34675370 ; 46505273 ; 47365457 ; 47515589 ; 47736756 ; 47885654 ; 49698446 ; 49880716 ; 50124284 ; 57311534 ; 77543448 ; 85788060 ; 103207155 ; 104316379 ; 117557196 ; 134223139 ; 134338212 ; 134997132 ; 135841429 ; 137001406 ; 139650986 ; 160964208 ; 163358501 ; 164038406 ; 178103867 ; 179150198 ; 184546165 ; 198973441 ; 223440870 ; 225144308 ; 226420705
ChEBI ID
CHEBI:8872
CAS Number
26652-09-5
TTD Drug ID
D00LFB
Formula
C17H21NO3
Canonical SMILES
CC(C(C1=CC=C(C=C1)O)O)NCCC2=CC=C(C=C2)O
InChI
1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1
InChIKey
IOVGROKTTNBUGK-SJCJKPOMSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Ritodrine sulfated DM005415 N. A. Conjugation - Sulfation 1 [3] , [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005748 Ritodrine Ritodrine sulfated Conjugation - Sulfation SULT1A3 ... [3], [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Sulfotransferase 1A1 (SULT1A1) DME0008 Homo sapiens
ST1A1_HUMAN
2.8.2.1
[2]
Sulfotransferase 1A3 (SULT1A3) DME0063 Homo sapiens
ST1A3_HUMAN
2.8.2.1
[3] , [2]
References
1 FDA label of Ritodrine hydrochloride. The 2020 official website of the U.S. Food and Drug Administration.
2 Inhibitory effects of various beverages on ritodrine sulfation by recombinant human sulfotransferase isoforms SULT1A1 and SULT1A3. Pharm Res. 2005 Aug;22(8):1406-10.
3 Metabolism and disposition of ritodrine in a pregnant baboon

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