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Name | BDBM50290463 |
---|---|
Molecular formula | C28H43N7O3 |
IUPAC name | 2-[3-[3-[(2R)-3-cyclohexyl-1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-hydroxy-2-oxo-1H-imidazol-5-yl]propyl]guanidine |
Molecular weight | 525.698 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 4 |
XlogP | 3.2 |
Synonyms | N-[3-(1-{1-Cyclohexylmethyl-2-[4-(2,6-dimethyl-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-2,5-dioxo-imidazolidin-4-yl)-propyl]-guanidine |
Inchi Key | DLAUTKGNEBSDJQ-HSZRJFAPSA-N |
Inchi ID | InChI=1S/C28H43N7O3/c1-19-8-6-9-20(2)24(19)33-14-16-34(17-15-33)26(37)23(18-21-10-4-3-5-11-21)35-25(36)22(32-28(35)38)12-7-13-31-27(29)30/h6,8-9,21,23,36H,3-5,7,10-18H2,1-2H3,(H,32,38)(H4,29,30,31)/t23-/m1/s1 |
PubChem CID | 91261187 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50290463 |
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 |
---|---|---|---|---|---|
62785 | C5a anaphylatoxin chemotactic receptor 1 | P21730 | C5AR1 | Homo sapiens (Human) | 350 |
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