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Name | AC1MHY5M |
---|---|
Molecular formula | C26H26N2O3 |
IUPAC name | (21S)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol |
Molecular weight | 414.505 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 3.3 |
Synonyms | (8R)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol BDBM21864 (21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.0^{1,13}.0^{2,21}.0^{4,12}.0^{5,10}.0^{19,25}]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol |
Inchi Key | WIYUZYBFCWCCQJ-XEWUMVRVSA-N |
Inchi ID | InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1 |
PubChem CID | 3034754 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 21864 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
374609 | Delta-type opioid receptor | P32300 | Oprd1 | Mus musculus (Mouse) | 372 |
374611 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
374612 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
462428 | Delta-type opioid receptor | P79291 | OPRD1 | Sus scrofa (Pig) | 228 |
374606 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
374608 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
374613 | Kappa-type opioid receptor | P34975 | Oprk1 | Rattus norvegicus (Rat) | 380 |
374616 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
374607 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
374610 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
374615 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
374617 | Mu-type opioid receptor | P42866 | Oprm1 | Mus musculus (Mouse) | 398 |
374614 | Neuropeptides B/W receptor type 1 | P48145 | NPBWR1 | Homo sapiens (Human) | 328 |
374618 | Nociceptin receptor | P41146 | OPRL1 | Homo sapiens (Human) | 370 |
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