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Name | 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile |
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Molecular formula | C14H11ClF3N5O2 |
IUPAC name | 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-3-methyl-2,4-dioxopyrimidine-5-carbonitrile |
Molecular weight | 373.72 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 1.8 |
Synonyms | Bionet1_000875 MolPort-002-861-953 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-3-methyl-2,4-dioxopyrimidine-5-carbonitrile HMS2415J22 AC1NOSXB [ Show all ] |
Inchi Key | ABPPDADGZJPTTR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C14H11ClF3N5O2/c1-22-12(24)8(5-19)7-23(13(22)25)3-2-20-11-10(15)4-9(6-21-11)14(16,17)18/h4,6-7H,2-3H2,1H3,(H,20,21) |
PubChem CID | 5093809 |
ChEMBL | CHEMBL1344335 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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463082 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
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