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Name | naloxone |
---|---|
Molecular formula | C19H21NO4 |
IUPAC name | (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one |
Molecular weight | 327.38 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 2.1 |
Synonyms | Nalossone 4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one (naloxone) Naloxone [INN:BAN] NCGC00024674-02 BIDD:GT0110 [ Show all ] |
Inchi Key | UZHSEJADLWPNLE-GRGSLBFTSA-N |
Inchi ID | InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 |
PubChem CID | 5284596 |
ChEMBL | CHEMBL80 |
IUPHAR | 1676, 1638 |
BindingDB | 50000788, 54795 |
DrugBank | DB01183 |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
556907 | 5-hydroxytryptamine receptor 7 | P32305 | Htr7 | Rattus norvegicus (Rat) | 448 |
349336 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
455585 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
349328 | C-C chemokine receptor type 5 | P51682 | Ccr5 | Mus musculus (Mouse) | 354 |
349332 | D(1A) dopamine receptor | Q95136 | DRD1 | Bos taurus (Bovine) | 446 |
556906 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
349333 | D(3) dopamine receptor | P19020 | Drd3 | Rattus norvegicus (Rat) | 446 |
349321 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
349322 | Delta-type opioid receptor | P32300 | Oprd1 | Mus musculus (Mouse) | 372 |
349329 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
462227 | Delta-type opioid receptor | P79291 | OPRD1 | Sus scrofa (Pig) | 228 |
349325 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
349326 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
349330 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
349331 | Kappa-type opioid receptor | P34975 | Oprk1 | Rattus norvegicus (Rat) | 380 |
349323 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
349324 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
349327 | Mu-type opioid receptor | P42866 | Oprm1 | Mus musculus (Mouse) | 398 |
349334 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
349335 | Mu-type opioid receptor | P79350 | OPRM1 | Bos taurus (Bovine) | 401 |
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