Gamcemetinib
(15R)-5-[2-chloro-5-(ethoxymethyl)pyrimidin-4-yl]oxy-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
Molecular Identity
Gamcemetinib
(15R)-5-[2-chloro-5-(ethoxymethyl)pyrimidin-4-yl]oxy-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
PubChem CID: 118936948
2D Structure
Properties
C22H20ClN5O3S
Molecular Formula
469.90
Molecular Weight
g/mol
469.0975
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
127
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
677
Complexity
SMILES
Canonical SMILES
SMILES: CCOCC1=CN=C(N=C1OC2=NC3=C(C=C2)C4=C(C=C3)SC5=C4NCC(NC5=O)C)ClIsomeric SMILES
SMILES: CCOCC1=CN=C(N=C1OC2=NC3=C(C=C2)C4=C(C=C3)SC5=C4NC[C@H](NC5=O)C)ClSynonyms(20)
Gamcemetinib1887069-10-4CC-99677OS2IR8TV1OBMS-986371RefChem:1085680(R)-3-((2-Chloro-5-(ethoxymethyl)pyrimidin-4-yl)oxy)-10-methyl-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-oneGamcemetinib (USAN)GAMCEMETINIB [USAN]US9790235, Number I-135(15R)-5-[2-chloro-5-(ethoxymethyl)pyrimidin-4-yl]oxy-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0(2).0(1)(2)(1)]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one(15R)-5-[2-chloro-5-(ethoxymethyl)pyrimidin-4-yl]oxy-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-onegamcemetinib [INN]Gamcemetinib [WHO-DD]orb1691401
Data from PubChem (NCBI)
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