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Compound IDNVIC0037
Compound Structure
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InhibitorClemastine
PubChem ID 23724780
Drug Bank ID
ChemSpider ID 58178872
SMILESCC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCCN3C.C(=CC(=O)O)C(=O)O
Molecular Weight (in g/mol)459.967
Target
Assay Type
Assay Description
Assay SourceMicroSource Spectrum Collection
Cell Type
Outcome
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor3
H-bond Donor0
No. of Rotatable Bond Count6
XLogP6.5
PSA12.47
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2682105/
PubMed ID [Source Literature] 19264786
Curatornishisharmacool14@gmail.com