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Ligand

NameCHEMBL3658252
Molecular formulaC19H15FN8OS
IUPAC name6-[(2,4-diaminopteridin-6-yl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
Molecular weight422.442
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP1.4
SynonymsBDBM150868
US8981106, 57
Inchi KeyAGMZOOCJFASGNU-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H15FN8OS/c20-11-2-4-12(5-3-11)26-18(29)10-1-6-14(23-7-10)30-9-13-8-24-17-15(25-13)16(21)27-19(22)28-17/h1-8H,9H2,(H,26,29)(H4,21,22,24,27,28)
PubChem CID46896368
ChEMBLCHEMBL3658252
IUPHARN/A
BindingDB150868
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
459264C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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