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Ligand

NameCHEMBL1809024
Molecular formulaC24H24N4O2S
IUPAC name(6aR,9R)-9-(pyrrolidine-1-carbonyl)-N-thiophen-3-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
Molecular weight432.542
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.5
SynonymsBDBM50349660
Inchi KeyBDJRXALNVVZVFG-IIBYNOLFSA-N
Inchi IDInChI=1S/C24H24N4O2S/c29-23(27-7-1-2-8-27)16-10-19-18-4-3-5-20-22(18)15(12-25-20)11-21(19)28(13-16)24(30)26-17-6-9-31-14-17/h3-6,9-10,12,14,16,21,25H,1-2,7-8,11,13H2,(H,26,30)/t16-,21-/m1/s1
PubChem CID56673940
ChEMBLCHEMBL1809024
IUPHARN/A
BindingDB50349660
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20993C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
20994C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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