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Ligand

NameCHEMBL158311
Molecular formulaC34H40N8O2S2
IUPAC name1-(3-isothiocyanatophenyl)-3-[8-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]octyl]thiourea
Molecular weight656.868
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP5.3
SynonymsN/A
Inchi KeyAMKANZICHZVXTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H40N8O2S2/c43-31(42-30-15-6-5-13-28(30)33(44)39-29-14-10-17-35-32(29)42)24-41-21-19-40(20-22-41)18-8-4-2-1-3-7-16-36-34(46)38-27-12-9-11-26(23-27)37-25-45/h5-6,9-15,17,23H,1-4,7-8,16,18-22,24H2,(H,39,44)(H2,36,38,46)
PubChem CID15678853
ChEMBLCHEMBL158311
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8971Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460

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