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Ligand

NameCHEMBL244766
Molecular formulaC32H42N4O5S
IUPAC nameN-[1-[[(2R)-1-[3-(1,5-dihydroxypentan-3-ylamino)propylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
Molecular weight594.771
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP3.6
SynonymsN/A
Inchi KeyADHVEVWNGPYDIB-AREMUKBSSA-N
Inchi IDInChI=1S/C32H42N4O5S/c37-19-13-25(14-20-38)33-17-8-18-34-29(39)26(21-23-9-2-1-3-10-23)35-31(41)32(15-6-7-16-32)36-30(40)28-22-24-11-4-5-12-27(24)42-28/h1-5,9-12,22,25-26,33,37-38H,6-8,13-21H2,(H,34,39)(H,35,41)(H,36,40)/t26-/m1/s1
PubChem CID23626254
ChEMBLCHEMBL244766
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2324Substance-K receptorP21452TACR2Homo sapiens (Human)398

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