Details of the Drug

General Information of Drug (ID: DM70RDZ)

• Drug Name: Metrenperone
• Synonyms: Metrenperone; 81043-56-3; UNII-W1O4FV809G; W1O4FV809G; R 50 970; Metrenperona; Metrenperonum; 3-[2-[4-(4-Fluorobenzoyl)-1-piperidyl]ethyl]-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one; Metrenperonum [INN-Latin]; Metrenperona [INN-Spanish]; Sinomedol; Metrenperone [USAN:INN:BAN]; 3-(2-(4-(4-Fluorobenzoyl)-1-piperidyl)ethyl)-2,7-dimethyl-4H-pyrido(1,2-a)pyrimidin-4-one; EINECS 279-678-7; Metrenperone (USAN/INN); AC1Q4NI9; AC1L2H8G; SCHEMBL2109868; CHEMBL2104852; BDBM82382; DTXSID20230867; ZINC537997; NSC_72005; CAS_72005

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 407.5
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C24H26FN3O2
  IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
  Canonical SMILES: CC1=CN2C(=NC(=C(C2=O)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)C)C=C1
  InChI: InChI=1S/C24H26FN3O2/c1-16-3-8-22-26-17(2)21(24(30)28(22)15-16)11-14-27-12-9-19(10-13-27)23(29)18-4-6-20(25)7-5-18/h3-8,15,19H,9-14H2,1-2H3
  InChIKey: AXQRPYKSPHUOGZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 72005
  CAS Number: 81043-56-3
  TTD ID: D04EYR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2 receptor (5HT2R)	TTYSN63	NOUNIPROTAC	Antagonist	[1]

References

• [1] Cardiovascular response to intravenous administration of 5-hydroxytryptamine after type-2 receptor blockade, by metrenperone, in healthy calves. Vet J. 1999 Jan;157(1):31-7.