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Ligand

NameCHEMBL420739
Molecular formulaC25H24N6O2S
IUPAC name4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]-N-phenylpiperazine-1-carbothioamide
Molecular weight472.567
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.5
SynonymsBDBM50012333
5,11-Dihydro-11-[[4-phenylamino(thiocarbonyl)-1-piperazinyl]acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
4-[2-Oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperazine-1-carbothioic acid phenylamide
Inchi KeyHYJMOLTXBOXNCT-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24N6O2S/c32-22(17-29-13-15-30(16-14-29)25(34)27-18-7-2-1-3-8-18)31-21-11-5-4-9-19(21)24(33)28-20-10-6-12-26-23(20)31/h1-12H,13-17H2,(H,27,34)(H,28,33)
PubChem CID15050942
ChEMBLCHEMBL420739
IUPHARN/A
BindingDB50012333
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
127082Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
127084Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
127083Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
127081Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478

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