Synonyms
Status
Molecule Category Free-form
UNII LPU25F15UQ

Structure

InChI Key KJNNWYBAOPXVJY-UHFFFAOYSA-N
Smiles CCCCc1nc(-c2ccc(OCCCN(CC)CC)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1
InChI
InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H38ClN3O2
Molecular Weight 532.13
AlogP 8.44
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 14.0
Polar Surface Area 39.52
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 38.0

Pharmacology

Mechanism of Action Action Reference
Advanced glycosylation end product-specific receptor antagonist ANTAGONIST PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Unclassified protein
- - 500 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - 500 - -

Target Conservation

Protein: Advanced glycosylation end product-specific receptor

Description: Advanced glycosylation end product-specific receptor

Organism : Homo sapiens

Q15109 ENSG00000204305

Cross References

Resources Reference
ChEMBL CHEMBL3989929
DrugBank DB12689
FDA SRS LPU25F15UQ
Guide to Pharmacology 8317
PubChem 11180124
SureChEMBL SCHEMBL1142599
ZINC ZINC000038336973