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Name | BDBM50290481 |
---|---|
Molecular formula | C30H44N6O3 |
IUPAC name | 2-[4-[3-[(2R)-3-cyclohexyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-4-hydroxy-2-oxo-1H-imidazol-5-yl]butyl]guanidine |
Molecular weight | 536.721 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 4 |
XlogP | 4.1 |
Synonyms | 5-[4-amino(imino)methylaminobutyl]-3-[1-cyclohexylmethyl-2-oxo-2-spiro[2,3-dihydro-1H-indene-1,4''-(hexahydropyridine)]-1-yl-(1R)-ethyl]-(5R)-tetrahydro-1H-2,4-imidazoledione |
Inchi Key | ANHCIXWBJNUVMD-RUZDIDTESA-N |
Inchi ID | InChI=1S/C30H44N6O3/c31-28(32)33-17-7-6-12-24-26(37)36(29(39)34-24)25(20-21-8-2-1-3-9-21)27(38)35-18-15-30(16-19-35)14-13-22-10-4-5-11-23(22)30/h4-5,10-11,21,25,37H,1-3,6-9,12-20H2,(H,34,39)(H4,31,32,33)/t25-/m1/s1 |
PubChem CID | 91934578 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50290481 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
459300 | C5a anaphylatoxin chemotactic receptor 1 | P21730 | C5AR1 | Homo sapiens (Human) | 350 |
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