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Ligand

NameCHEMBL1089629
Molecular formulaC29H32F6N4O3
IUPAC nameN-[2-oxo-2-[[(3R)-1-[2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
Molecular weight598.59
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP4.8
Synonyms(R)-N-(2-oxo-2-(1-(2-(1-(4-(trifluoromethyl)benzoyl)piperidin-4-yl)ethyl)pyrrolidin-3-ylamino)ethyl)-3-(trifluoromethyl)benzamide
BDBM50315033
SCHEMBL13271689
Inchi KeyADJIIADSNIOSDG-XMMPIXPASA-N
Inchi IDInChI=1S/C29H32F6N4O3/c30-28(31,32)22-6-4-20(5-7-22)27(42)39-14-9-19(10-15-39)8-12-38-13-11-24(18-38)37-25(40)17-36-26(41)21-2-1-3-23(16-21)29(33,34)35/h1-7,16,19,24H,8-15,17-18H2,(H,36,41)(H,37,40)/t24-/m1/s1
PubChem CID46842235
ChEMBLCHEMBL1089629
IUPHARN/A
BindingDB50315033
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2363C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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