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Ligand

NameCHEMBL43234
Molecular formulaC26H24F3N3O3S
IUPAC name3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-7-(trifluoromethyl)-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione
Molecular weight515.551
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.0
Synonyms3-[2-[[(3aR,9bR)-6-Methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole]-2-yl]ethyl]-7-(trifluoromethyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-7-trifluoromethyl-1H-benzo[4,5]thieno[3,2-d]pyrimidine-2,4-dione
BDBM50087483
Inchi KeyHNZVUWXVRHTZSM-IFXJQAMLSA-N
Inchi IDInChI=1S/C26H24F3N3O3S/c1-35-20-4-2-3-16-17(20)7-5-14-12-31(13-19(14)16)9-10-32-24(33)23-22(30-25(32)34)18-8-6-15(26(27,28)29)11-21(18)36-23/h2-4,6,8,11,14,19H,5,7,9-10,12-13H2,1H3,(H,30,34)/t14-,19+/m0/s1
PubChem CID10530732
ChEMBLCHEMBL43234
IUPHARN/A
BindingDB50087483
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
119773Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
119776Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
119775Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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