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Ligand

NameCHEMBL3797946
Molecular formulaC26H30Cl2F6N6O5
IUPAC name1-[8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(methylamino)ethanone;2,2,2-trifluoroacetic acid
Molecular weight691.453
Hydrogen bond acceptor16
Hydrogen bond donor4
XlogPNone
SynonymsN/A
Inchi KeyDUBUTCLCAAJHEI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28Cl2N6O.2C2HF3O2/c1-25-14-20(31)30-11-7-22(15-30)5-9-29(10-6-22)21-26-8-4-19(28-21)27-13-16-2-3-17(23)12-18(16)24;2*3-2(4,5)1(6)7/h2-4,8,12,25H,5-7,9-11,13-15H2,1H3,(H,26,27,28);2*(H,6,7)
PubChem CID127047971
ChEMBLCHEMBL3797946
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
523552C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360

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