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
Structure
3D MOL 2D MOL
#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
DrugBank ID
DB11816
TTD ID
D0YL8U
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.