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Ligand

NameCHEMBL345657
Molecular formulaC23H27N7
IUPAC nameN-(pyridin-3-ylmethyl)-1-[(3S)-1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methanamine
Molecular weight401.518
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.9
SynonymsBDBM50074176
Pyridin-3-ylmethyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-ylmethyl}-amine
Inchi KeyAZZSQWLCJMOLKZ-IBGZPJMESA-N
Inchi IDInChI=1S/C23H27N7/c1-2-18(11-24-7-1)12-25-13-19-5-8-29(15-19)9-6-20-14-26-23-4-3-21(10-22(20)23)30-16-27-28-17-30/h1-4,7,10-11,14,16-17,19,25-26H,5-6,8-9,12-13,15H2/t19-/m0/s1
PubChem CID10525100
ChEMBLCHEMBL345657
IUPHARN/A
BindingDB50074176
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
186495-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
186505-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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