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Ligand

NameCHEMBL1957010
Molecular formulaC22H25BrFN5O2
IUPAC name6-(4-bromo-2-fluorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pteridin-4-one
Molecular weight490.377
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM50365831
Inchi KeyAJMIEEJXNRQUEB-HNNXBMFYSA-N
Inchi IDInChI=1S/C22H25BrFN5O2/c1-13(2)28-8-4-5-15(11-28)12-29-14(3)26-21-20(22(29)30)27-19(10-25-21)31-18-7-6-16(23)9-17(18)24/h6-7,9-10,13,15H,4-5,8,11-12H2,1-3H3/t15-/m0/s1
PubChem CID57394881
ChEMBLCHEMBL1957010
IUPHARN/A
BindingDB50365831
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
7033Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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