MMV030084   Click here for help

GtoPdb Ligand ID: 11201

Synonyms: TCMDC-140369
Antimalarial Ligand
Compound class: Synthetic organic
Comment: MMV030084 is a trisubstituted imidazole, with potent antimalarial activity against multiple stages of the Plasmodium lifecycle [1].

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 87.82
Molecular weight 342.12
XLogP 2.93
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCC(c1nc(c([nH]1)c1ccc(c(c1)O)Cl)c1ccncc1)(C)C
Isomeric SMILES NCC(c1nc(c([nH]1)c1ccc(c(c1)O)Cl)c1ccncc1)(C)C
InChI InChI=1S/C18H19ClN4O/c1-18(2,10-20)17-22-15(11-5-7-21-8-6-11)16(23-17)12-3-4-13(19)14(24)9-12/h3-9,24H,10,20H2,1-2H3,(H,22,23)
InChI Key YRHGMGAVJILIGS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name Click here for help
5-[2-(1-amino-2-methylpropan-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol
Synonyms Click here for help
TCMDC-140369
Database Links Click here for help
ChEMBL Ligand CHEMBL200889
GtoPdb PubChem SID 434122261
PubChem CID 22185475
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