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Name | CHEMBL267625 |
---|---|
Molecular formula | C54H81N9O9S2 |
IUPAC name | N-(8-aminooctyl)-1-[(11S,14R,17S,20R,23R)-14-(2-amino-2-oxoethyl)-20-benzyl-23-[(4-ethoxyphenyl)methyl]-13,16,19,22,25-pentaoxo-17-propan-2-yl-7,9-dithia-12,15,18,21,24-pentazaspiro[5.20]hexacosane-11-carbonyl]pyrrolidine-2-carboxamide |
Molecular weight | 1064.42 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 8 |
XlogP | 5.2 |
Synonyms | N/A |
Inchi Key | GAKFOCCTGKUAKC-WGIQCNIDSA-N |
Inchi ID | InChI=1S/C54H81N9O9S2/c1-4-72-39-23-21-38(22-24-39)31-40-48(66)59-41(30-37-18-11-9-12-19-37)50(68)62-47(36(2)3)52(70)60-42(32-45(56)64)49(67)61-43(34-73-35-74-54(33-46(65)58-40)25-13-10-14-26-54)53(71)63-29-17-20-44(63)51(69)57-28-16-8-6-5-7-15-27-55/h9,11-12,18-19,21-24,36,40-44,47H,4-8,10,13-17,20,25-35,55H2,1-3H3,(H2,56,64)(H,57,69)(H,58,65)(H,59,66)(H,60,70)(H,61,67)(H,62,68)/t40-,41-,42-,43-,44?,47+/m1/s1 |
PubChem CID | 44351386 |
ChEMBL | CHEMBL267625 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. 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 |
---|---|---|---|---|---|
91693 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
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