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Ligand

NameCHEMBL541511
Molecular formulaC19H26F2N4
IUPAC name(1S,3R)-3-fluoro-N-[[5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1-propan-2-ylpyrazol-3-yl]methyl]cyclopentan-1-amine
Molecular weight348.442
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
SynonymsSCHEMBL3541822
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
BDBM50296580
Inchi KeyABRIKSFMLSHUJV-CVEARBPZSA-N
Inchi IDInChI=1S/C19H26F2N4/c1-11(2)25-19(14-7-17(21)13(4)22-9-14)12(3)18(24-25)10-23-16-6-5-15(20)8-16/h7,9,11,15-16,23H,5-6,8,10H2,1-4H3/t15-,16+/m1/s1
PubChem CID45273531
ChEMBLCHEMBL541511
IUPHARN/A
BindingDB50296580
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
1101Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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