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Ligand

NameCHEMBL415135
Molecular formulaC33H31N7O
IUPAC nameN-[(R)-[4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-(1H-indol-3-yl)methyl]pyrazine-2-carboxamide
Molecular weight541.659
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.9
Synonyms(R)-N-((4-(4-ethylbenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl)pyrazine-2-carboxamide
BDBM50232282
Inchi KeyATPOIARGCQPWKS-WJOKGBTCSA-N
Inchi IDInChI=1S/C33H31N7O/c1-2-23-12-14-25(15-13-23)22-40-30(17-16-24-8-4-3-5-9-24)38-39-32(40)31(37-33(41)29-21-34-18-19-35-29)27-20-36-28-11-7-6-10-26(27)28/h3-15,18-21,31,36H,2,16-17,22H2,1H3,(H,37,41)/t31-/m1/s1
PubChem CID44445628
ChEMBLCHEMBL415135
IUPHARN/A
BindingDB50232282
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
14193Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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