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Ligand

NameCHEMBL1795711
Molecular formulaC27H29IN2O4
IUPAC nameN-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-iodobenzamide
Molecular weight572.443
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP1.9
SynonymsN-[3,14-Dihydroxy-17-(cyclopropylmethyl)-4,5alpha-epoxymorphinan-6beta-yl]-3-iodobenzamide
BDBM50346951
IBNtxA
3-Iodobenzoylnaltrexamide
Inchi KeyFGAFDGWRFOJPRY-XGTKUTNFSA-N
Inchi IDInChI=1S/C27H29IN2O4/c28-18-3-1-2-17(12-18)25(32)29-19-8-9-27(33)21-13-16-6-7-20(31)23-22(16)26(27,24(19)34-23)10-11-30(21)14-15-4-5-15/h1-3,6-7,12,15,19,21,24,31,33H,4-5,8-11,13-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
PubChem CID51003467
ChEMBLCHEMBL1795711
IUPHARN/A
BindingDB50346951
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
77599Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
77600Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
77595Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
77596Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
77597Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
77598Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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