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Name | CHEMBL560511 |
---|---|
Molecular formula | C29H41NO4 |
IUPAC name | (1S,2S,6R,14R,15S,16R)-5-(cyclopropylmethyl)-16-[(2R)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol |
Molecular weight | 467.65 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 5.0 |
Synonyms | Buprenorphine(-) 2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(14R)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl]-3,3-dimethyl-2-butanol SCHEMBL13787498 BDBM50028147 Buprenorphine2-(3-cyclopropylmethyl-11-hydroxy-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl)-3,3-dimethyl-2-butanol( [ Show all ] |
Inchi Key | RMRJXGBAOAMLHD-AGMYMXDYSA-N |
Inchi ID | InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26-,27-,28+,29+/m1/s1 |
PubChem CID | 9811785 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50028147 |
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 |
---|---|---|---|---|---|
299985 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
299986 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
461784 | Delta-type opioid receptor | P79291 | OPRD1 | Sus scrofa (Pig) | 228 |
299980 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
299983 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
299984 | Kappa-type opioid receptor | P34975 | Oprk1 | Rattus norvegicus (Rat) | 380 |
299981 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
299982 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
556653 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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