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Ligand

NameCHEMBL287965
Molecular formulaC24H24N4O3S
IUPAC name5-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-8-thia-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
Molecular weight448.541
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.1
Synonyms2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-4H-9-thia-2,4,6-triaza-fluorene-1,3-dione
BDBM50087485
Inchi KeyABSHIKAJJIGDIR-KBXCAEBGSA-N
Inchi IDInChI=1S/C24H24N4O3S/c1-31-19-4-2-3-15-16(19)6-5-14-12-27(13-18(14)15)9-10-28-23(29)22-21(26-24(28)30)17-11-25-8-7-20(17)32-22/h2-4,7-8,11,14,18H,5-6,9-10,12-13H2,1H3,(H,26,30)/t14-,18+/m0/s1
PubChem CID9955302
ChEMBLCHEMBL287965
IUPHARN/A
BindingDB50087485
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
1128Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
1126Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
1129Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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