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Ligand

NameCHEMBL304112
Molecular formulaC30H30N6O4
IUPAC name2-[4-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]butyl]isoindole-1,3-dione
Molecular weight538.608
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.5
Synonyms5,11-Dihydro-11-[[4-[4-(phthaloylamino)butyl]-1-piperazinyl]acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
2-(4-{4-[2-Oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperazin-1-yl}-butyl)-isoindole-1,3-dione
BDBM50012331
Inchi KeyBVHKIDFKISASAG-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H30N6O4/c37-26(36-25-12-4-3-10-23(25)28(38)32-24-11-7-13-31-27(24)36)20-34-18-16-33(17-19-34)14-5-6-15-35-29(39)21-8-1-2-9-22(21)30(35)40/h1-4,7-13H,5-6,14-20H2,(H,32,38)
PubChem CID15050955
ChEMBLCHEMBL304112
IUPHARN/A
BindingDB50012331
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
33722Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
33721Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
33724Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
33723Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478

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