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Name | Aminopotentidine |
---|---|
Molecular formula | C26H35N7O2 |
IUPAC name | 4-amino-N-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]benzamide |
Molecular weight | 477.613 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 4 |
XlogP | 2.5 |
Synonyms | 140873-26-3 AKOS024458617 CTK8E9297 4-amino-N-[2-(N''-cyano-N'-{3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}carbamimidamido)ethyl]benzamide BDBM22887 [ Show all ] |
Inchi Key | CICDSYWWNDGAGD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H35N7O2/c27-20-32-26(31-14-13-29-25(34)22-8-10-23(28)11-9-22)30-12-5-17-35-24-7-4-6-21(18-24)19-33-15-2-1-3-16-33/h4,6-11,18H,1-3,5,12-17,19,28H2,(H,29,34)(H2,30,31,32) |
PubChem CID | 164435 |
ChEMBL | CHEMBL72844 |
IUPHAR | N/A |
BindingDB | 50406645, 22887 |
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 |
---|---|---|---|---|---|
42541 | Histamine H1 receptor | P31389 | HRH1 | Cavia porcellus (Guinea pig) | 488 |
42539 | Histamine H2 receptor | P47747 | HRH2 | Cavia porcellus (Guinea pig) | 359 |
42540 | Histamine H4 receptor | Q9H3N8 | HRH4 | Homo sapiens (Human) | 390 |
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