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Ligand

NameCHEMBL143947
Molecular formulaC27H34N6O
IUPAC name(1R,2R)-1-phenyl-1-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]propan-2-ol
Molecular weight458.61
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.3
Synonyms(1R,2R)-1-Phenyl-1-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylamino}-propan-2-ol
BDBM50083082
SCHEMBL4578339
(1R,2R)-1-[[1-[3-[5-(4H-1,2,4-Triazole-4-yl)-1H-indole-3-yl]propyl]piperidine-4-yl]amino]-1-phenyl-2-propanol
Inchi KeyAMZZHMUOOCFWEG-HRFSGMKKSA-N
Inchi IDInChI=1S/C27H34N6O/c1-20(34)27(21-6-3-2-4-7-21)31-23-11-14-32(15-12-23)13-5-8-22-17-28-26-10-9-24(16-25(22)26)33-18-29-30-19-33/h2-4,6-7,9-10,16-20,23,27-28,31,34H,5,8,11-15H2,1H3/t20-,27+/m1/s1
PubChem CID10527882
ChEMBLCHEMBL143947
IUPHARN/A
BindingDB50083082
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: 2
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GLASS IDNameUniProtGeneSpeciesLength
93895-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
93885-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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