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Name | 4,4,4-trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one |
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Molecular formula | C11H11Cl3N2O3 |
IUPAC name | 4,4,4-trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one |
Molecular weight | 325.57 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 2.9 |
Synonyms | HMS2553H15 UNM-0000306212 AC1MVVH5 MolPort-000-815-101 C11H11Cl3N2O3 [ Show all ] |
Inchi Key | FQIHYTIJLIRZDF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C11H11Cl3N2O3/c1-15-10(11(12,13)14)6-9(17)7-2-4-8(5-3-7)16(18)19/h2-5,10,15H,6H2,1H3 |
PubChem CID | 3739292 |
ChEMBL | CHEMBL1430795 |
IUPHAR | N/A |
BindingDB | 33111 |
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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84712 | C-C chemokine receptor type 6 | P51684 | CCR6 | Homo sapiens (Human) | 374 |
84713 | Glucagon-like peptide 1 receptor | P43220 | GLP1R | Homo sapiens (Human) | 463 |
84711 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
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