MK-5108
4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid
Molecular Identity
MK-5108
4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid
PubChem CID: 24748204
4-(3-chloro-2-fluorophenoxy)-1-[[6-(2-thiazolylamino)-2-pyridinyl]methyl]-1-cyclohexanecarboxylic acid is an aromatic ether.
2D Structure
Properties
C22H21ClFN3O3S
Molecular Formula
461.90
Molecular Weight
g/mol
461.0976
Exact Mass
Da
5.4
XLogP
Above Lipinski threshold
113
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
611
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(CCC1OC2=C(C(=CC=C2)Cl)F)(CC3=NC(=CC=C3)NC4=NC=CS4)C(=O)OIsomeric SMILES
SMILES: C1CC(CCC1OC2=C(C(=CC=C2)Cl)F)(CC3=NC(=CC=C3)NC4=NC=CS4)C(=O)OSynonyms(20)
MK-51081010085-13-8VX-689MK-5108 (VX-689)MK 5108MK5108VX 689MFCD22124479(1r,4r)-4-(3-chloro-2-fluorophenoxy)-1-((6-(thiazol-2-ylamino)pyridin-2-yl)methyl)cyclohexane-1-carboxylic acidC22H21ClFN3O3SGTPL80614-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acidCHEMBL3600873HMS3656D06NSC800796
Data from PubChem (NCBI)
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Drug Network
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