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Ligand

NameCHEMBL43573
Molecular formulaC27H27N3O5S
IUPAC namemethyl 3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-2,4-dioxo-1H-[1]benzothiolo[3,2-d]pyrimidine-8-carboxylate
Molecular weight505.589
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.0
Synonyms3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-2,4-dioxo-1,2,3,4-tetrahydro-benzo[4,5]thieno[3,2-d]pyrimidine-8-carboxylic acid methyl ester
BDBM50087469
3-[2-[[(3aR,9bR)-6-Methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole]-2-yl]ethyl]-2,4-dioxo-1,2,3,4-tetrahydro[1]benzothieno[3,2-d]pyrimidine-8-carboxylic acid methyl ester
Inchi KeyIUVZIQRYAOYUSW-OXJNMPFZSA-N
Inchi IDInChI=1S/C27H27N3O5S/c1-34-21-5-3-4-17-18(21)8-6-16-13-29(14-20(16)17)10-11-30-25(31)24-23(28-27(30)33)19-12-15(26(32)35-2)7-9-22(19)36-24/h3-5,7,9,12,16,20H,6,8,10-11,13-14H2,1-2H3,(H,28,33)/t16-,20+/m0/s1
PubChem CID10554492
ChEMBLCHEMBL43573
IUPHARN/A
BindingDB50087469
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
142401Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
142400Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
142398Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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