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Ligand

NameCHEMBL309401
Molecular formulaC22H30N4O2
IUPAC name1-(3-aminophenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea
Molecular weight382.508
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.9
SynonymsN-(3-Aminophenyl)-N'-[3-(3-piperidinomethylphenoxy)propyl]urea
SCHEMBL9513535
BDBM50406657
1-[3-[3-(Piperidinomethyl)phenoxy]propyl]-3-(3-aminophenyl)urea
CALTUROEFHQVRN-UHFFFAOYSA-N
Inchi KeyCALTUROEFHQVRN-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H30N4O2/c23-19-8-5-9-20(16-19)25-22(27)24-11-6-14-28-21-10-4-7-18(15-21)17-26-12-2-1-3-13-26/h4-5,7-10,15-16H,1-3,6,11-14,17,23H2,(H2,24,25,27)
PubChem CID14883414
ChEMBLCHEMBL309401
IUPHARN/A
BindingDB50406657
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
37289Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359

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