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Name | CHEMBL336082 |
---|---|
Molecular formula | C33H46N6O5S |
IUPAC name | (2S)-N-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-2-[[2-(1H-imidazol-5-yl)acetyl]amino]pentanediamide |
Molecular weight | 638.828 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 2.4 |
Synonyms | BDBM50043156 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1H-4-imidazolylmethylcarboxamido)-(2S)-pentanediamide |
Inchi Key | AQCMDBDNERGAJQ-DMBDEIPHSA-N |
Inchi ID | InChI=1S/C33H46N6O5S/c1-31(2)23-10-12-33(31,20-45(43,44)39-15-13-32(14-16-39)11-9-22-5-3-4-6-25(22)32)27(17-23)38-30(42)26(7-8-28(34)40)37-29(41)18-24-19-35-21-36-24/h3-6,19,21,23,26-27H,7-18,20H2,1-2H3,(H2,34,40)(H,35,36)(H,37,41)(H,38,42)/t23-,26+,27+,33-/m1/s1 |
PubChem CID | 11764710 |
ChEMBL | CHEMBL336082 |
IUPHAR | N/A |
BindingDB | 50043156 |
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 |
---|---|---|---|---|---|
11564 | Oxytocin receptor | P70536 | Oxtr | Rattus norvegicus (Rat) | 388 |
11563 | Vasopressin V2 receptor | Q00788 | Avpr2 | Rattus norvegicus (Rat) | 371 |
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