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Ligand

NameCHEMBL330172
Molecular formulaC41H45N5O5
IUPAC name[1-[2-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]methanone
Molecular weight687.841
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP5.8
Synonyms1-(3,4,5-Trimethoxy-benzoyl)-3-[2-[4-[1-(pyrid-3-ylmethyl)-1H-benzoimidazole-2-carbonyl]-piperidin-1-yl]-ethyl]-3-phenyl-pyrrolidine
BDBM50290712
SCHEMBL7954731
(3-Phenyl-3-{2-[4-(1-pyridin-3-ylmethyl-1H-benzoimidazole-2-carbonyl)-piperidin-1-yl]-ethyl}-pyrrolidin-1-yl)-(3,4,5-trimethoxy-phenyl)-methanone
AHIOIWMCDDMDRL-UHFFFAOYSA-N
Inchi KeyAHIOIWMCDDMDRL-UHFFFAOYSA-N
Inchi IDInChI=1S/C41H45N5O5/c1-49-35-24-31(25-36(50-2)38(35)51-3)40(48)45-23-18-41(28-45,32-11-5-4-6-12-32)17-22-44-20-15-30(16-21-44)37(47)39-43-33-13-7-8-14-34(33)46(39)27-29-10-9-19-42-26-29/h4-14,19,24-26,30H,15-18,20-23,27-28H2,1-3H3
PubChem CID15542881
ChEMBLCHEMBL330172
IUPHARN/A
BindingDB50290712
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5577Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
5576Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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