Mk-8353
(3S)-3-methylsulfanyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
Molecular Identity
Mk-8353
(3S)-3-methylsulfanyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
PubChem CID: 58282870
MK-8353 is a member of the class of indazoles that is 1H-indazole substituted by a 6-(propan-2-yloxy)pyridin-3-yl group at position 3 and by a {[(3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)pyrrolidin-3-yl]carbonyl}amino group at position 5. It is a potent and selective inhibitor of ERK1 and ERK2 in vitro (IC50 values of 23.0 nM and 8.8 nM, respectively). The drug is being developed by Merck Sharp & Dohme and is currently in clinical development for the treatment of advanced/metastatic solid tumors. It has a role as an antineoplastic agent, an apoptosis inducer and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a secondary carboxamide, a tertiary carboxamide, a member of pyridines, an aromatic ether, a member of triazoles, a member of indazoles, a pyrrolidinecarboxamide, a N-alkylpyrrolidine, a dihydropyridine and a methyl sulfide.
2D Structure
Properties
C37H41N9O3S
Molecular Formula
691.80
Molecular Weight
g/mol
691.3053
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
159
TPSA
May have limited oral absorption
2
H-Bond Donors
9
H-Bond Acceptors
1220
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)OC1=NC=C(C=C1)C2=NNC3=C2C=C(C=C3)NC(=O)C4(CCN(C4)CC(=O)N5CCC(=CC5)C6=CC=C(C=C6)C7=NN(C=N7)C)SCIsomeric SMILES
SMILES: CC(C)OC1=NC=C(C=C1)C2=NNC3=C2C=C(C=C3)NC(=O)[C@@]4(CCN(C4)CC(=O)N5CCC(=CC5)C6=CC=C(C=C6)C7=NN(C=N7)C)SCSynonyms(20)
1184173-73-6MK-8353SCH900353MK8353SCH-900353(3S)-3-methylsulfanyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-propan-2-yloxypyridin-3-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamideCHEBI:167664(3S)-3-methylsulfanyl-1-(2-(4-(4-(1-methyl-1,2,4-triazol-3-yl)phenyl)-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl)-N-(3-(6-propan-2-yloxypyridin-3-yl)-1H-indazol-5-yl)pyrrolidine-3-carboxamideRefChem:159219ERK Inhibitor MK-8353SCH 900353MK-8353-0013-Pyrrolidinecarboxamide, 1-(2-(3,6-dihydro-4-(4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)-1(2H)-pyridinyl)-2-oxoethyl)-N-(3-(6-(1-methylethoxy)-3-pyridinyl)-1H-indazol-5-yl)-3-(methylthio)-, (3S)-CHEMBL4213970MK 8353
Data from PubChem (NCBI)
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