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Name | CHEMBL1790938 |
---|---|
Molecular formula | C41H55N9O6 |
IUPAC name | (1R,8S,11R,17S,20R,23S)-23-[(2R)-butan-2-yl]-11-(1H-imidazol-5-ylmethyl)-20-(1H-indol-3-ylmethyl)-10-methyl-3,10,13,19,22,25-hexazatetracyclo[23.4.0.03,8.013,17]nonacosane-2,9,12,18,21,24-hexone |
Molecular weight | 769.948 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 3.1 |
Synonyms | BDBM50368438 |
Inchi Key | DYASWPQNHOGBMN-KOMPESINSA-N |
Inchi ID | InChI=1S/C41H55N9O6/c1-4-25(2)35-41(56)50-18-10-8-15-33(50)39(54)49-17-9-7-14-32(49)38(53)47(3)34(21-27-23-42-24-44-27)40(55)48-19-11-16-31(48)37(52)45-30(36(51)46-35)20-26-22-43-29-13-6-5-12-28(26)29/h5-6,12-13,22-25,30-35,43H,4,7-11,14-21H2,1-3H3,(H,42,44)(H,45,52)(H,46,51)/t25-,30-,31+,32+,33-,34-,35+/m1/s1 |
PubChem CID | 56671648 |
ChEMBL | CHEMBL1790938 |
IUPHAR | N/A |
BindingDB | 50368438 |
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 |
---|---|---|---|---|---|
71834 | Oxytocin receptor | P70536 | Oxtr | Rattus norvegicus (Rat) | 388 |
71835 | Vasopressin V1a receptor | P30560 | Avpr1a | Rattus norvegicus (Rat) | 424 |
71833 | Vasopressin V2 receptor | Q00788 | Avpr2 | Rattus norvegicus (Rat) | 371 |
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