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Ligand

NameCHEMBL296395
Molecular formulaC22H24N2O4
IUPAC name2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]isoindole-1,3-dione
Molecular weight380.444
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.9
Synonyms2-[4-(5-Methoxy-chroman-3-ylamino)-butyl]-isoindole-1,3-dione; compound with oxalic acid
2-[4-[[(5-Methoxy-3,4-dihydro-2H-1-benzopyran)-3-yl]amino]butyl]-1H-isoindole-1,3(2H)-dione
3-[N-(4-PHTHALIMIDOBUTYL)AMINO]-5-METHOXYCHROMAN
BDBM50036867
CHEMBL1183429
[ Show all ]
Inchi KeyFVFQQWRAUZNCPU-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N2O4/c1-27-19-9-6-10-20-18(19)13-15(14-28-20)23-11-4-5-12-24-21(25)16-7-2-3-8-17(16)22(24)26/h2-3,6-10,15,23H,4-5,11-14H2,1H3
PubChem CID10429859
ChEMBLN/A
IUPHARN/A
BindingDB50036867
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
880865-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
880835-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
880815-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
88084Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
88082Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452
88080D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
88085D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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