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Ligand

NameCHEMBL1077828
Molecular formulaC34H37F4N5O3
IUPAC nameN-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
Molecular weight639.696
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP5.9
Synonyms(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)-N-(1-isopropylpiperidin-4-yl)acetamide
BDBM50310483
(R)-N-{1-[3-(4-Ethoxy-phenyl)-4-oxo-3,4-dihydro-pyrido[2,3-d]pyrimidin-2-yl]-ethyl}-2-(4-fluoro-3-trifluoromethyl-phenyl)-N-(1-isopropyl-piperidin-4-yl)-acetamide
BRLVSSNAGZDESC-JOCHJYFZSA-N
SCHEMBL4812931
Inchi KeyBRLVSSNAGZDESC-JOCHJYFZSA-N
Inchi IDInChI=1S/C34H37F4N5O3/c1-5-46-26-11-9-24(10-12-26)43-32(40-31-27(33(43)45)7-6-16-39-31)22(4)42(25-14-17-41(18-15-25)21(2)3)30(44)20-23-8-13-29(35)28(19-23)34(36,37)38/h6-13,16,19,21-22,25H,5,14-15,17-18,20H2,1-4H3/t22-/m1/s1
PubChem CID46883308
ChEMBLCHEMBL1077828
IUPHARN/A
BindingDB50310483
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31112C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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