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Name | MLS000689796 |
---|---|
Molecular formula | C21H22N8O4 |
IUPAC name | 2-methoxy-6-[(E)-[[4-(4-nitroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol |
Molecular weight | 450.459 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 3 |
XlogP | 4.2 |
Synonyms | 2-methoxy-6-[[2-[4-(4-nitroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one SMR000313400 AC1OBIEP CHEMBL3199324 A0421/0019470 [ Show all ] |
Inchi Key | ANFFIQNEFKVPRN-LPYMAVHISA-N |
Inchi ID | InChI=1S/C21H22N8O4/c1-33-17-6-4-5-14(18(17)30)13-22-27-20-24-19(25-21(26-20)28-11-2-3-12-28)23-15-7-9-16(10-8-15)29(31)32/h4-10,13,30H,2-3,11-12H2,1H3,(H2,23,24,25,26,27)/b22-13+ |
PubChem CID | 135439746 |
ChEMBL | CHEMBL3199324 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
557549 | C-C chemokine receptor type 6 | P51684 | CCR6 | Homo sapiens (Human) | 374 |
557550 | Glucagon-like peptide 1 receptor | P43220 | GLP1R | Homo sapiens (Human) | 463 |
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