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Ligand

NameCHEMBL3290105
Molecular formulaC25H26FN3O5
IUPAC name1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
Molecular weight467.497
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM50019423
SCHEMBL17114561
Inchi KeyDJDJKAVIQKSVPS-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26FN3O5/c1-33-20-7-6-8-21(34-2)22(20)19-15-18(28-29(19)17-11-9-16(26)10-12-17)23(30)27-25(24(31)32)13-4-3-5-14-25/h6-12,15H,3-5,13-14H2,1-2H3,(H,27,30)(H,31,32)
PubChem CID90644398
ChEMBLCHEMBL3290105
IUPHARN/A
BindingDB50019423
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: 3
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GLASS IDNameUniProtGeneSpeciesLength
523322Apelin receptorP35414APLNRHomo sapiens (Human)380
61348Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424
61347Neurotensin receptor type 2Q63384Ntsr2Rattus norvegicus (Rat)416

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