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Name | CHEMBL71009 |
---|---|
Molecular formula | C27H36N10O3 |
IUPAC name | 2-[3-(4-azido-2-nitroanilino)propyl]-1-cyano-3-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]guanidine |
Molecular weight | 548.652 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 5.9 |
Synonyms | 1-[3-(4-Azido-2-nitrophenylamino)propyl]-2-cyano-3-[4-[3-(1-piperidinylmethyl)phenoxy]butyl]guanidine |
Inchi Key | BKMLCPKJECIGOI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H36N10O3/c28-21-33-27(32-14-7-13-30-25-11-10-23(34-35-29)19-26(25)37(38)39)31-12-2-5-17-40-24-9-6-8-22(18-24)20-36-15-3-1-4-16-36/h6,8-11,18-19,30H,1-5,7,12-17,20H2,(H2,31,32,33) |
PubChem CID | 15179502 |
ChEMBL | CHEMBL71009 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
25914 | Histamine H2 receptor | P47747 | HRH2 | Cavia porcellus (Guinea pig) | 359 |
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