Details of the Drug

General Information of Drug (ID: DMH7GN8)

• Drug Name: Ramosetron
• Synonyms: 132036-88-5; UNII-7ZRO0SC54Y; Ramosetron [INN]; 7ZRO0SC54Y; CHEMBL1643895; Ramosetron (INN); (1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone; Nor-YM 060; SCHEMBL16701; GTPL2301; DTXSID0043842; NTHPAPBPFQJABD-LLVKDONJSA-N; MolPort-019-991-383; CHEBI:135156; ZINC5116719; AC1L3355; BDBM50334454; 8235AH; AKOS015896003; SB19072; DB09290; SC-92398; AJ-53160; LS-187182; TL8000762; R-146; FT-0651831; D08466; A806353; (-)-(R)-1-Methylindol-3-yl-4,5,6,7-tetrahydro-5-benzimidazolyl ketone; Nasea (TN); YM060

Indication

Disease Entry	ICD 11	Status	REF
Nausea and vomiting	MD90	Approved	[1], [2]
Irritable bowel syndrome	DD91.0	Phase 4	[3]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 279.34
  Topological Polar Surface Area (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• ADMET Property:
  Clearance: The drug present in the plasma can be removed from the body at the rate of 7.03 mL/min/kg [4]
  Half-life: The concentration or amount of drug in body reduced by one-half in 4.94 hours [4]
  Vd: Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 2.65 L/kg [4]
• Chemical Identifiers:
  Formula: C17H17N3O
  IUPAC Name: (1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
  Canonical SMILES: CN1C=C(C2=CC=CC=C21)C(=O)[C@@H]3CCC4=C(C3)NC=N4
  InChI: 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
• Cross-matching ID:
  PubChem CID: 108000
  ChEBI ID: CHEBI:135156
  CAS Number: 132036-88-5
  DrugBank ID: DB09290
  TTD ID: D0RA9E
  VARIDT ID: DR01425
  INTEDE ID: DR1392

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 3 receptor (5HT3R)	TTNXLKE	NOUNIPROTAC	Modulator	[5]
5-HT receptor (5HTR)	TT85JO3	NOUNIPROTAC	Modulator	[6]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_HUMAN	Substrate	[7]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 1A2 (CYP1A2) Main DME	DEJGDUW	CP1A2_HUMAN	Substrate	[8]

References

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