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Ligand

NameCHEMBL3325804
Molecular formulaC34H36ClN7O4
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-1-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide
Molecular weight642.157
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50100194
SCHEMBL13506303
Inchi KeyBFYCPGWDAOWTSD-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H36ClN7O4/c1-4-5-32(43)29-18-36-42(23(29)3)27-9-7-25(8-10-27)37-34(45)30-20-41(31-11-6-24(35)17-28(30)31)21-33(44)40-14-12-39(13-15-40)19-26-16-22(2)46-38-26/h6-11,16-18,20H,4-5,12-15,19,21H2,1-3H3,(H,37,45)
PubChem CID66576530
ChEMBLCHEMBL3325804
IUPHARN/A
BindingDB50100194
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
442550P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
442551P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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