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Ligand

NameCHEMBL52396
Molecular formulaC25H30N2O4
IUPAC name2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]isoindole-1,3-dione
Molecular weight422.525
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.3
SynonymsCHEMBL283207
SCHEMBL9304776
ISIUTFCGQWDGHC-UHFFFAOYSA-N
BDBM50036844
LS-84564
[ Show all ]
Inchi KeyISIUTFCGQWDGHC-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N2O4/c1-3-13-26(18-16-21-22(30-2)11-8-12-23(21)31-17-18)14-6-7-15-27-24(28)19-9-4-5-10-20(19)25(27)29/h4-5,8-12,18H,3,6-7,13-17H2,1-2H3
PubChem CID10251673
ChEMBLCHEMBL283207
IUPHARN/A
BindingDB50036844
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1407295-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
1407345-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1407315-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
1407355-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1407325-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
140733Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
140737Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452
140736D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
140730D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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