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Ligand

NameCHEMBL2397477
Molecular formulaC32H47N5O3
IUPAC name4-[3-(2-butyltriazol-4-yl)propoxy]-N-[4-[[(1R)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]-3-methoxybenzamide
Molecular weight549.76
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50436536
Inchi KeyHKOJNCZKZSYFEQ-LJAQVGFWSA-N
Inchi IDInChI=1S/C32H47N5O3/c1-5-8-22-37-34-25-28(35-37)12-11-23-40-30-18-15-27(24-31(30)39-4)32(38)33-19-9-10-21-36(20-6-2)29-16-13-26(7-3)14-17-29/h3,13,15,18,24-25,29H,5-6,8-12,14,16-17,19-23H2,1-2,4H3,(H,33,38)/t29-/m0/s1
PubChem CID73353534
ChEMBLCHEMBL2397477
IUPHARN/A
BindingDB50436536
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
117375D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
117374D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
117376D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
524920D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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