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Ligand

NameCHEMBL1688888
Molecular formulaC17H13F4N5O2
IUPAC nameN-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
Molecular weight395.318
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.2
SynonymsSCHEMBL18841095
1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-3-(4-fluoro-3-(trifluoromethyl)phenyl)urea
TLK-19705
BDBM50339635
Inchi KeyWOMTXGGBILJJNX-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28)
PubChem CID10272003
ChEMBLCHEMBL1688888
IUPHARN/A
BindingDB50339635
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
378460C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
378457C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373
378459C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
378461C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360
378455C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
378456C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
378458C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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