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Ligand

NameCHEMBL353857
Molecular formulaC22H29N3O2
IUPAC name1-[4-(cyclohexylmethoxy)-3-phenylmethoxyphenyl]-2-methylguanidine
Molecular weight367.493
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50291463
N-(3-Benzyloxy-4-cyclohexylmethoxy-phenyl)-N''-methyl-guanidine
Inchi KeyCPNMTTAKYKDAPT-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H29N3O2/c1-24-22(23)25-19-12-13-20(26-15-17-8-4-2-5-9-17)21(14-19)27-16-18-10-6-3-7-11-18/h3,6-7,10-14,17H,2,4-5,8-9,15-16H2,1H3,(H3,23,24,25)
PubChem CID44383008
ChEMBLCHEMBL353857
IUPHARN/A
BindingDB50291463
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
47537C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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