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Ligand

NameCenicriviroc mesylate
Molecular formulaC42H56N4O7S2
IUPAC name(5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide;methanesulfonic acid
Molecular weight793.051
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogPNone
SynonymsCenicriviroc mesylate (USAN)
SCHEMBL3459507
CS-0032631
TBR-652
Cenicriviroc mesilate
[ Show all ]
Inchi KeyIXPBPUPDRDCRSY-YLZLUMLXSA-N
Inchi IDInChI=1S/C41H52N4O4S.CH4O3S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2;1-5(2,3)4/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46);1H3,(H,2,3,4)/b34-26+;/t50-;/m0./s1
PubChem CID11285791
ChEMBLCHEMBL2105686
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
144181C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
144184C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
144180C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
144183C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360
144182C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
144185C-C chemokine receptor type 7P32248CCR7Homo sapiens (Human)378

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