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Ligand

NameCHEMBL290388
Molecular formulaC26H26N4O4S
IUPAC name3-[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-carboxamide
Molecular weight490.578
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.0
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 amide
BDBM50087468
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-carboxamide
Inchi KeyPASJPUZERLARRR-HNAYVOBHSA-N
Inchi IDInChI=1S/C26H26N4O4S/c1-34-20-4-2-3-16-17(20)7-5-15-12-29(13-19(15)16)9-10-30-25(32)23-22(28-26(30)33)18-11-14(24(27)31)6-8-21(18)35-23/h2-4,6,8,11,15,19H,5,7,9-10,12-13H2,1H3,(H2,27,31)(H,28,33)/t15-,19+/m0/s1
PubChem CID10744687
ChEMBLCHEMBL290388
IUPHARN/A
BindingDB50087468
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
255099Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
255098Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
255097Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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