YM90709   Click here for help

GtoPdb Ligand ID: 5090

Synonyms: YM 90709 | YM-90709
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: IL-5 receptor antagonist
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 49.17
Molecular weight 359.16
XLogP 4.79
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc2c(cc1OC)CC(n1c2cc2c1nc1c(n2)cccc1)(C)C
Isomeric SMILES COc1cc2c(cc1OC)CC(n1c2cc2c1nc1c(n2)cccc1)(C)C
InChI InChI=1S/C22H21N3O2/c1-22(2)12-13-9-19(26-3)20(27-4)10-14(13)18-11-17-21(25(18)22)24-16-8-6-5-7-15(16)23-17/h5-11H,12H2,1-4H3
InChI Key HIXSPVQXXDULHS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
16,17-dimethoxy-21,21-dimethyl-1,3,10-triazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{14,19}]henicosa-2,4,6,8,10,12,14(19),15,17-nonaene
Synonyms Click here for help
YM 90709 | YM-90709
Database Links Click here for help
CAS Registry No. 163769-88-8
ChEMBL Ligand CHEMBL1356775
GtoPdb PubChem SID 178101783
PubChem CID 1103147
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Tocris
YM 90709
Cat. No. 1675