Ketohexokinase inhibitor 1
2-[(1R,5S)-3-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
Molecular Identity
Ketohexokinase inhibitor 1
2-[(1R,5S)-3-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
PubChem CID: 129278694
2D Structure
Properties
C16H19F3N4O2
Molecular Formula
356.34
Molecular Weight
g/mol
356.1460
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
69.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
534
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Ketohexokinase inhibitor 12102501-84-6PF-068359192-[(1S,5R)-3-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid2-((1R,5S,6R)-3-(2-((S)-2-Methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl)acetic acid2-[(1~{S},5~{R})-3-[2-[(2~{S})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid2-[(1R,5S)-3-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid2-((1S,5R)-3-(2-((2S)-2-METHYLAZETIDIN-1-YL)-6-(TRIFLUOROMETHYL)PYRIMIDIN-4-YL)-3-AZABICYCLO(3.1.0)HEXAN-6-YL)ACETIC ACIDketohexokinase-inhibitor-1EC2P9H3A8Sorb1308157CHEMBL4549658CHEMBL5924060SCHEMBL19024092SCHEMBL19024093
Data from PubChem (NCBI)
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