Details of the Drug

General Information of Drug (ID: DM624TW)

• Drug Name: Omecamtiv mecarbil
• Synonyms: Omecamtiv mecarbil; 873697-71-3; Omecamtiv mecarbil (CK-1827452); CK-1827452; CK1827452; UNII-2M19539ERK; CK 1827452; methyl 4-(2-fluoro-3-(3-(6-Methylpyridin-3-yl)ureido)benzyl)piperazine-1-carboxylate; CHEMBL1800955; AMG-423; 2M19539ERK; Methyl 4-(2-Fluoro-3-{[(6-Methylpyridin-3-Yl)carbamoyl]amino}benzyl)piperazine-1-Carboxylate; Methyl 4-[[2-fluoro-3-[n'-(6-methylpyridin-3-yl)ureido]phenyl]methyl]piperazine-1-carboxylate; Omecamtiv mecarbil [USAN:INN]; omecamtiv mercarbil; MLS006011266; SCHEMBL400544; Omecamtiv Mecarbil

Indication

Disease Entry	ICD 11	Status	REF
Heart failure	BD10-BD13	Phase 3	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 401.4
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C20H24FN5O3
  IUPAC Name: methyl 4-[[2-fluoro-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate
  Canonical SMILES: CC1=NC=C(C=C1)NC(=O)NC2=CC=CC(=C2F)CN3CCN(CC3)C(=O)OC
  InChI: InChI=1S/C20H24FN5O3/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27)
  InChIKey: RFUBTTPMWSKEIW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11689883
  CAS Number: 873697-71-3
  UNII: 2M19539ERK
  DrugBank ID: DB11816
  TTD ID: D0YL8U

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cardiac myosin (MYBPC3)	TT9WOBN	MYPC3_HUMAN	Modulator	[2]

References

• [1] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [2] CK-1827452, a sarcomere-directed cardiac myosin activator for acute and chronic heart disease. IDrugs. 2009 Apr;12(4):243-51.