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Ligand

NameCHEMBL453594
Molecular formulaC27H40FN5O2
IUPAC nameN-cycloheptyl-2-[4-(4-fluoropiperidin-1-yl)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
Molecular weight485.648
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM50243946
N-cycloheptyl-2-(4-(4-fluoropiperidin-1-yl)piperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
Inchi KeyBHPCVVBZXHQNET-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H40FN5O2/c1-34-24-17-22-23(18-25(24)35-2)30-27(31-26(22)29-20-7-5-3-4-6-8-20)33-15-11-21(12-16-33)32-13-9-19(28)10-14-32/h17-21H,3-16H2,1-2H3,(H,29,30,31)
PubChem CID44561172
ChEMBLCHEMBL453594
IUPHARN/A
BindingDB50243946
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23933C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360
23934C-C chemokine receptor type 4P51680Ccr4Mus musculus (Mouse)360

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