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Name | CHEMBL265591 |
---|---|
Molecular formula | C51H75N11O9S2 |
IUPAC name | 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]-N-[4-(diaminomethylideneamino)butyl]pyrrolidine-2-carboxamide |
Molecular weight | 1050.35 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 9 |
XlogP | 2.8 |
Synonyms | BDBM50016756 c(Pmp-D-Tyr(Et)-Phe-Val-Asn-Cys)-Pro-NH-(CH2)4-NH-C(=NH)NH2 |
Inchi Key | MJXWEQYJQUNXJN-KKTZDRMYSA-N |
Inchi ID | InChI=1S/C51H75N11O9S2/c1-4-71-35-19-17-34(18-20-35)27-36-44(65)58-37(26-33-14-7-5-8-15-33)46(67)61-43(32(2)3)48(69)59-38(28-41(52)63)45(66)60-39(30-72-31-73-51(29-42(64)57-36)21-9-6-10-22-51)49(70)62-25-13-16-40(62)47(68)55-23-11-12-24-56-50(53)54/h5,7-8,14-15,17-20,32,36-40,43H,4,6,9-13,16,21-31H2,1-3H3,(H2,52,63)(H,55,68)(H,57,64)(H,58,65)(H,59,69)(H,60,66)(H,61,67)(H4,53,54,56)/t36-,37-,38-,39-,40?,43+/m1/s1 |
PubChem CID | 44351441 |
ChEMBL | CHEMBL265591 |
IUPHAR | N/A |
BindingDB | 50016756 |
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. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
207289 | Vasopressin V2 receptor | Q00788 | Avpr2 | Rattus norvegicus (Rat) | 371 |
207290 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
207291 | Vasopressin V2 receptor | P30518 | AVPR2 | Homo sapiens (Human) | 371 |
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