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Ligand

NameMLS000080402
Molecular formulaC21H22N2O5
IUPAC namebutyl (3S)-2'-amino-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
Molecular weight382.416
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.0
SynonymsAKOS030520059
ZINC4326723
CHEMBL1470661
1164476-23-6
MolPort-002-586-745
[ Show all ]
Inchi KeyACHYNZGQYRJFBC-NRFANRHFSA-N
Inchi IDInChI=1S/C21H22N2O5/c1-2-3-11-27-19(25)17-18(22)28-15-10-6-9-14(24)16(15)21(17)12-7-4-5-8-13(12)23-20(21)26/h4-5,7-8H,2-3,6,9-11,22H2,1H3,(H,23,26)/t21-/m0/s1
PubChem CID661495
ChEMBLCHEMBL1470661
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1588Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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