Details of the Drug

General Information of Drug (ID: DMF8VX3)

• Drug Name: MDL-74156
• Synonyms: Mdl 74156; Hydrodolasetron; Mdl-74156; 127951-99-9; 1H-Indole-3-carboxylicacid, octahydro-3-hydroxy-2,6-methano-2H-quinolizin-8-yl ester; 1-H-Indole-3-carboxylic acid, trans-octahydro-3-hydroxy-2,6-methano-2H-quinolizin-8-yl ester; ACMC-20msnw; AC1L4LYC; CHEMBL498572; SCHEMBL7281981; AC1Q60Y9; CTK4B5810; 1H-Indole-3-carboxylic acid, octahydro-3-hydroxy-2,6-methano-2H-quinolizin-8-yl ester; BDBM50412171; AKOS030254922; 10-hydroxy-8-azatricyclo[5.3.1.03,8]undec-5-yl 1h-indole-3-carboxylate; LS-172694; J-005559

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); 326.4
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C19H22N2O3
  IUPAC Name: (10-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 1H-indole-3-carboxylate
  Canonical SMILES: C1C2CC3CC(CC1N3CC2O)OC(=O)C4=CNC5=CC=CC=C54
  InChI: InChI=1S/C19H22N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,18,20,22H,5-8,10H2
  InChIKey: MLWGAEVSWJXOQJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 159502
  ChEBI ID: CHEMBL498572
  CAS Number: 127951-99-9
  TTD ID: D01IWD
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[1]

References

• [1] Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods. Bioorg Med Chem Lett. 2003 Aug 18;13(16):2773-5.