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Ligand

NameCHEMBL3325894
Molecular formulaC29H38ClN7O3
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)piperidin-1-yl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
Molecular weight568.119
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50100245
SCHEMBL17124175
Inchi KeyCYMPIFSEGHZYOW-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H38ClN7O3/c1-4-5-27(38)24-17-31-37(20(24)2)22-8-10-36(11-9-22)32-29(40)25-18-35(26-7-6-21(30)16-23(25)26)19-28(39)34-14-12-33(3)13-15-34/h6-7,16-18,22H,4-5,8-15,19H2,1-3H3,(H,32,40)
PubChem CID73603967
ChEMBLCHEMBL3325894
IUPHARN/A
BindingDB50100245
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
443845P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343
443846P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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