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Ligand

NameCHEMBL3263272
Molecular formulaC23H29F3N2O5
IUPAC name[(3aS,5S,6aR)-5-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methanone
Molecular weight470.489
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP1.9
SynonymsSCHEMBL15320284
ARUZBCPDBNETAH-HTJFHPCASA-N
((3aS,5S,6aR)-5-(((3S,4S)-3-methoxytetrahydro-2H-pyran-4-yl)amino)hexahydro-2H-cyclopenta[b]furan-3a-yl)(6-(trifluoromethyl)-2H-benzo[e][1,3]oxazin-3(4H)-yl)methanone
BDBM50011990
Inchi KeyARUZBCPDBNETAH-HTJFHPCASA-N
Inchi IDInChI=1S/C23H29F3N2O5/c1-30-19-12-31-6-4-17(19)27-16-9-20-22(10-16,5-7-32-20)21(29)28-11-14-8-15(23(24,25)26)2-3-18(14)33-13-28/h2-3,8,16-17,19-20,27H,4-7,9-13H2,1H3/t16-,17+,19-,20-,22-/m1/s1
PubChem CID71768900
ChEMBLCHEMBL3263272
IUPHARN/A
BindingDB50011990
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12789C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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