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Ligand

NameCHEMBL3719143
Molecular formulaC24H30N2O5
IUPAC name2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-[2-(1-hydroxycyclopentyl)ethyl]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight426.513
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.1
SynonymsSCHEMBL15050936
Inchi KeyFXENJTMDNMCZIQ-IBGZPJMESA-N
Inchi IDInChI=1S/C24H30N2O5/c27-23-25-22(31-16-19-15-29-11-12-30-19)14-21-20-4-3-17(13-18(20)6-10-26(21)23)5-9-24(28)7-1-2-8-24/h3-4,13-14,19,28H,1-2,5-12,15-16H2/t19-/m0/s1
PubChem CID89645377
ChEMBLCHEMBL3719143
IUPHARN/A
BindingDBN/A
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
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GLASS IDNameUniProtGeneSpeciesLength
524113G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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