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Ligand

NameTAK652
Molecular formulaC41H52N4O4S
IUPAC name8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide
Molecular weight696.951
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP7.5
SynonymsKS-0000064B
AKOS030238784
TAK 652
(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
GTPL801
[ Show all ]
Inchi KeyPNDKCRDVVKJPKG-DPDRHGIRSA-N
Inchi IDInChI=1S/C41H52N4O4S/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/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/t50-/m0/s1
PubChem CID68533031
ChEMBLN/A
IUPHARN/A
BindingDB50422828
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
263888C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
263886C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
263887C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
263889C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360
263885C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
263884C-C chemokine receptor type 7P32248CCR7Homo sapiens (Human)378

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