Details of the Drug

General Information of Drug (ID: DMAG6BV)

Drug Name
LGK974
Synonyms
1243244-14-5; LGK974; LGK-974; 2-(2',3-Dimethyl-[2,4'-bipyridin]-5-yl)-N-(5-(pyrazin-2-yl)pyridin-2-yl)acetamide; WNT-974; LGK 974; UNII-U27F40013Q; CHEBI:78030; CHEMBL3188386; U27F40013Q; AK165831; 2-(2',3-dimethyl-2,4'-bipyridin-5-yl)-N-[5-(pyrazin-2-yl)pyridin-2-yl]acetamide; MLS006011002; SCHEMBL1723611; KS-00000SUI; MolPort-029-945-290; HMS3653G11; BCP08495; EX-A1402; ZINC95930187; STL556617; BDBM50133870; BBL102809; 2140AH; s7143; AKOS025211913; SB19314; CS-2807; DB12561; NCGC00347950-07; NCGC00347950-01; OR302651; QC-11701
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 396.4
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C23H20N6O
IUPAC Name
2-[5-methyl-6-(2-methylpyridin-4-yl)pyridin-3-yl]-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide
Canonical SMILES
CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4
InChI
InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)
InChIKey
XXYGTCZJJLTAGH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46926973
ChEBI ID
CHEBI:78030
CAS Number
1243244-14-5
DrugBank ID
DB12561
TTD ID
D0J5HR
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
Protein-serine O-palmitoleoyltransferase porcupine (PORCN) TTNFBTO PORCN_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Targeting Wnt-driven cancer through the inhibition of Porcupine by LGK974. Proc Natl Acad Sci U S A. 2013 Dec 10;110(50):20224-9.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)