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Name | CHEMBL408474 |
---|---|
Molecular formula | C46H64N12O13S2 |
IUPAC name | 2-[[(2S)-6-amino-2-[[(2R)-1-[(4R,7S,10R,13S,16R,19S)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetic acid |
Molecular weight | 1057.21 |
Hydrogen bond acceptor | 17 |
Hydrogen bond donor | 13 |
XlogP | -5.5 |
Synonyms | BDBM50020655 [6-Amino-2-({1-[19-amino-13-benzyl-10-(2-carbamoyl-ethyl)-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carbonyl}-amino)-hexanoylamino]-acetic acid |
Inchi Key | ZROKNFKQDJQQGV-FQMYWHBPSA-N |
Inchi ID | InChI=1S/C46H64N12O13S2/c47-17-5-4-9-29(40(65)51-22-38(62)63)53-45(70)35-10-6-18-58(35)46(71)34-24-73-72-23-28(48)39(64)54-31(20-26-11-13-27(59)14-12-26)43(68)55-32(19-25-7-2-1-3-8-25)42(67)52-30(15-16-36(49)60)41(66)56-33(21-37(50)61)44(69)57-34/h1-3,7-8,11-14,28-35,59H,4-6,9-10,15-24,47-48H2,(H2,49,60)(H2,50,61)(H,51,65)(H,52,67)(H,53,70)(H,54,64)(H,55,68)(H,56,66)(H,57,69)(H,62,63)/t28-,29+,30-,31-,32+,33+,34+,35-/m1/s1 |
PubChem CID | 44294645 |
ChEMBL | CHEMBL408474 |
IUPHAR | N/A |
BindingDB | 50020655 |
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 |
---|---|---|---|---|---|
435780 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
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