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Ligand

NameCHEMBL460483
Molecular formulaC20H30N2S
IUPAC namebenzyl N,N'-dicyclohexylcarbamimidothioate
Molecular weight330.534
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP5.7
Synonyms2-Benzyl-1,3-dicyclohexyl-isothiourea
BDBM50247098
benzyl N,N'-dicyclohexylcarbamimidothioate
AC1L4AAL
Inchi KeyAKWYUXGJLWSOTO-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H30N2S/c1-4-10-17(11-5-1)16-23-20(21-18-12-6-2-7-13-18)22-19-14-8-3-9-15-19/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2,(H,21,22)
PubChem CID203317
ChEMBLCHEMBL460483
IUPHARN/A
BindingDB50247098
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7980C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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