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Ligand

NameCHEMBL61598
Molecular formulaC25H28N4O4
IUPAC nameN-[3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-2,4-dioxo-1H-quinazolin-7-yl]acetamide
Molecular weight448.523
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.0
SynonymsN-{3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-2,4-dioxo-1,2,3,4-tetrahydro-quinazolin-7-yl}-acetamide
7-(Acetylamino)-3-[2-(6-methoxy-2,3,3abeta,4,5,9bbeta-hexahydro-1H-benzo[e]isoindole-2-yl)ethyl]quinazoline-2,4(1H,3H)-dione
BDBM50100220
Inchi KeyCDHRNZXTVNDRBC-HRAATJIYSA-N
Inchi IDInChI=1S/C25H28N4O4/c1-15(30)26-17-7-9-20-22(12-17)27-25(32)29(24(20)31)11-10-28-13-16-6-8-19-18(21(16)14-28)4-3-5-23(19)33-2/h3-5,7,9,12,16,21H,6,8,10-11,13-14H2,1-2H3,(H,26,30)(H,27,32)/t16-,21+/m0/s1
PubChem CID10527466
ChEMBLCHEMBL61598
IUPHARN/A
BindingDB50100220
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
39300Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
39299Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
39301Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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