lonidamine   Click here for help

GtoPdb Ligand ID: 12601

Synonyms: AF 1890 | AF-1890 | Diclondazolic acid
Compound class: Synthetic organic
Comment: Lonidamine has antiparasitic and antineoplastic effects. It is known to interfere with the multidrug resistance mechanism.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 52.9
Molecular weight 321.16
XLogP 2.35
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES C1=CC2=C(C=C1)N(CC3=CC=C(C=C3Cl)Cl)N=C2C(=O)O
Isomeric SMILES C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O
InChI InChI=1S/C15H10Cl2N2O2/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
4324 lonidamine
Synonyms Click here for help
AF 1890 | AF-1890 | Diclondazolic acid
Database Links Click here for help
ChEMBL Ligand CHEMBL1257030
DrugBank Ligand DB06266
GtoPdb PubChem SID 479821391
PubChem CID 39562
Search Google for chemical match using the InChIKey WDRYRZXSPDWGEB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WDRYRZXSPDWGEB
Search PubMed clinical trials lonidamine
Search PubMed titles lonidamine
Search PubMed titles/abstracts lonidamine
UniChem Compound Search for chemical match using the InChIKey WDRYRZXSPDWGEB-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey WDRYRZXSPDWGEB-UHFFFAOYSA-N