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Name | CHEMBL2115369 |
---|---|
Molecular formula | C58H79N11O12S2 |
IUPAC name | (2S)-N-[(2S)-6-amino-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]-1-[(10R,13S,16S,19S,22S)-13-(2-amino-2-oxoethyl)-19-benzyl-22-[(4-methoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-propan-2-yl-7,8-dithia-11,14,17,20,23-pentazaspiro[4.19]tetracosane-10-carbonyl]pyrrolidine-2-carboxamide |
Molecular weight | 1186.45 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 11 |
XlogP | 2.5 |
Synonyms | BDBM50406623 |
Inchi Key | KAOLGZBCUUKYAG-SBFCBURCSA-N |
Inchi ID | InChI=1S/C58H79N11O12S2/c1-34(2)48-55(78)65-44(31-47(60)71)52(75)66-45(56(79)69-27-11-15-46(69)54(77)62-40(14-7-10-26-59)50(73)63-41(49(61)72)28-36-16-20-38(70)21-17-36)32-82-83-33-58(24-8-9-25-58)57(80)67-43(30-37-18-22-39(81-3)23-19-37)51(74)64-42(53(76)68-48)29-35-12-5-4-6-13-35/h4-6,12-13,16-23,34,40-46,48,70H,7-11,14-15,24-33,59H2,1-3H3,(H2,60,71)(H2,61,72)(H,62,77)(H,63,73)(H,64,74)(H,65,78)(H,66,75)(H,67,80)(H,68,76)/t40-,41-,42-,43-,44-,45-,46-,48-/m0/s1 |
PubChem CID | 71461726 |
ChEMBL | CHEMBL2115369 |
IUPHAR | N/A |
BindingDB | 50406623 |
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 |
---|---|---|---|---|---|
164494 | Vasopressin V1a receptor | P30560 | Avpr1a | Rattus norvegicus (Rat) | 424 |
164495 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
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