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

General Information of Drug (ID: DR1392)
Drug Name
Ramosetron
Synonyms
Ramosetron; LS-187182; NTHPAPBPFQJABD-LLVKDONJSA-N; Nor-YM 060; Ramosetron (INN); Ramosetron [INN]; SB19072; SC-92398; TL8000762; ZINC5116719; (-)-(R)-1-Methylindol-3-yl-4,5,6,7-tetrahydro-5-benzimidazolyl ketone; (1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone; 132036-88-5; 7ZRO0SC54Y; 8235AH; A806353; AC1L3355; AJ-53160; AKOS015896003; BDBM50334454; CHEBI:135156; CHEMBL1643895; D08466; DB09290; DTXSID0043842; FT-0651831; GTPL2301; R-146; SCHEMBL16701; UNII-7ZRO0SC54Y
Indication Irritable bowel syndrome [ICD11: DD91] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 279.34 Topological Polar Surface Area 50.7
Heavy Atom Count 21 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
108000
PubChem SID
14824418 ; 14848693 ; 44436913 ; 49830772 ; 50070718 ; 50112691 ; 71879502 ; 79053930 ; 96025152 ; 104380246 ; 124974479 ; 125084556 ; 128751655 ; 131297527 ; 135141836 ; 135650885 ; 137446772 ; 140430812 ; 152035422 ; 172659137 ; 179149824 ; 184546127 ; 198983023 ; 223562331 ; 224977577 ; 226406853 ; 241031501 ; 251912291 ; 251916599
ChEBI ID
CHEBI:135156
CAS Number
132907-72-3
TTD Drug ID
D0RA9E
Formula
C17H17N3O
Canonical SMILES
CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4
InChI
1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1
InChIKey
NTHPAPBPFQJABD-LLVKDONJSA-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
Unclear DM009999 N. A. Unclear 1 [2]
Unclear DM009999 N. A. Unclear 1 [2] , [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005213 Ramosetron Unclear Unclear CYP1A2 [2], [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
CYTOCHROME CYP141 (CYP141) DMEN245 Bacteroides fragilis Not Available Not Available [2]
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[3]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
References
1 ClinicalTrials.gov (NCT03278522) Ramosetron Pre-treatment for PONV and QT Prolongation.
2 Management of postoperative nausea and vomiting: focus on palonosetron
3 Ondansetron, ramosetron, or palonosetron: which is a better choice of antiemetic to prevent postoperative nausea and vomiting in patients undergoing laparoscopic cholecystectomy? Anesth Essays Res. 2011 Jul-Dec;5(2):182-6.

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