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Ligand

NameCHEMBL289437
Molecular formulaC24H23ClN4O3S
IUPAC name5-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-10-chloro-8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione
Molecular weight482.983
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.8
Synonyms8-Chloro-2-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-4H-9-thia-2,4,5-triaza-fluorene-1,3-dione
BDBM50087492
Inchi KeyFAVICDMVFZAKMY-XJKSGUPXSA-N
Inchi IDInChI=1S/C24H23ClN4O3S/c1-32-18-4-2-3-14-15(18)6-5-13-11-28(12-16(13)14)9-10-29-23(30)22-20(27-24(29)31)19-21(33-22)17(25)7-8-26-19/h2-4,7-8,13,16H,5-6,9-12H2,1H3,(H,27,31)/t13-,16+/m0/s1
PubChem CID10624665
ChEMBLCHEMBL289437
IUPHARN/A
BindingDB50087492
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
73855Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
73853Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
73854Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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