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Ligand

NameCHEMBL3115111
Molecular formulaC30H42F3N5O6
IUPAC name2-morpholin-4-ylethyl (3aR,5R,6aR)-5-[(3-methoxyoxan-4-yl)amino]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
Molecular weight625.69
Hydrogen bond acceptor12
Hydrogen bond donor1
XlogP0.6
SynonymsBDBM50446848
SCHEMBL15422436
Inchi KeyABHVKYFWPPHTHF-ZMSNHJSUSA-N
Inchi IDInChI=1S/C30H42F3N5O6/c1-41-26-18-43-8-3-25(26)35-23-13-22-17-38(28(40)44-11-7-36-5-9-42-10-6-36)19-29(22,14-23)27(39)37-4-2-24-20(16-37)12-21(15-34-24)30(31,32)33/h12,15,22-23,25-26,35H,2-11,13-14,16-19H2,1H3/t22-,23+,25?,26?,29-/m0/s1
PubChem CID72946008
ChEMBLCHEMBL3115111
IUPHARN/A
BindingDB50446848
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
869C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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