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Ketohexokinase inhibitor 1 , CAS No.2102501-84-6
Basic Description
| Synonyms | Ketohexokinase inhibitor 1 | PF-06835919 | 2-[(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 acid | 2-[(1S,5R)-3-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-y |
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Associated Targets(Human)
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | 2-[(1S,5R)-3-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid |
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| INCHI | InChI=1S/C16H19F3N4O2/c1-8-2-3-23(8)15-20-12(16(17,18)19)5-13(21-15)22-6-10-9(4-14(24)25)11(10)7-22/h5,8-11H,2-4,6-7H2,1H3,(H,24,25)/t8-,9?,10-,11+/m0/s1 |
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| InChi Key | MDUYWDNWFXSMJJ-OFLUOSHYSA-N |
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| Canonical SMILES | CC1CCN1C2=NC(=CC(=N2)N3CC4C(C3)C4CC(=O)O)C(F)(F)F |
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| Isomeric SMILES | C[C@H]1CCN1C2=NC(=CC(=N2)N3C[C@@H]4[C@H](C3)C4CC(=O)O)C(F)(F)F |
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| PubChem CID | 129278694 |
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| Molecular Weight | 356.34 |
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