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Ligand

NameNCGC00090226-01
Molecular formulaC27H40N6O2
IUPAC nameN,N-bis(2-methoxyethyl)-2-methyl-9-[3-(2-methylpiperidin-1-yl)propyl]-8-phenylpurin-6-amine
Molecular weight480.657
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.9
SynonymsAC1O7HD2
CHEMBL1475667
N,N-bis(2-methoxyethyl)-2-methyl-9-[3-(2-methylpiperidin-1-yl)propyl]-8-phenylpurin-6-amine
Inchi KeyABMJYLFGDCMIQT-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H40N6O2/c1-21-11-8-9-14-31(21)15-10-16-33-25(23-12-6-5-7-13-23)30-24-26(28-22(2)29-27(24)33)32(17-19-34-3)18-20-35-4/h5-7,12-13,21H,8-11,14-20H2,1-4H3
PubChem CID6605133
ChEMBLCHEMBL1475667
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
958Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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