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Ligand

NameNCGC00012967
Molecular formulaC23H22FN5O
IUPAC name2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
Molecular weight403.461
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.4
SynonymsAC1MMA52
CHEMBL1555567
PCOP-988605
2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-phenethylpteridin-7-one
Inchi KeyAENXWVPAVOKAAI-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22FN5O/c1-28(2)23-25-14-20-21(27-23)29(15-17-8-11-18(24)12-9-17)22(30)19(26-20)13-10-16-6-4-3-5-7-16/h3-9,11-12,14H,10,13,15H2,1-2H3
PubChem CID3235543
ChEMBLCHEMBL1555567
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
3665Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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