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Ligand

NameCHEMBL3358450
Molecular formulaC25H35N5O3S
IUPAC name3-(diethylamino)-N-[(1R)-1-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide
Molecular weight485.647
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.0
SynonymsSCHEMBL1990385
BDBM50051783
EX-1350
Inchi KeyAYQAIVDVNTXQCJ-HSZRJFAPSA-N
Inchi IDInChI=1S/C25H35N5O3S/c1-4-30(5-2)18-9-19-34(31,32)29-23(17-12-20-10-7-6-8-11-20)25-26-24(27-28-25)21-13-15-22(33-3)16-14-21/h6-8,10-11,13-16,23,29H,4-5,9,12,17-19H2,1-3H3,(H,26,27,28)/t23-/m1/s1
PubChem CID25032438
ChEMBLCHEMBL3358450
IUPHARN/A
BindingDB50051783
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
442360Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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