× Home Simple Search Query Builder Structure Search Browse Similarity with FDA Approved Small Molecule Drugs Similarity with ChEMBL compounds Similarity with ZINC Lead-like compounds Cluster Visualization Submission Useful Resources NVIK VirtualBox Contact Us
Developed & Hosted by:
CSIR-Institute of Microbial Technology, Sector-39A, Chandigarh, India (160036).
*Best view resolution at 1920x1080 px on 24" screen

logo
☰
                  
Record - 1 of 1   [TOP]
Compound IDNVIC0036
Compound Structure
DOWNLOAD:
InhibitorQuinacrine dihydrochloride dihydrate
PubChem ID 2725002
Drug Bank ID
ChemSpider ID 2007115
SMILESCCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.O.O.Cl.Cl
Molecular Weight (in g/mol)508.909
Target
Assay Type
Assay Description
Assay SourcePrestwick
Cell Type
Outcome
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor4
H-bond Donor1
No. of Rotatable Bond Count9
XLogP5.12
PSA37.39
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2682105/
PubMed ID [Source Literature] 19264786
Curatornishisharmacool14@gmail.com