bulaquine   Click here for help

GtoPdb Ligand ID: 10414

Synonyms: CDRI-80/53 | elubaquine
Antimalarial Ligand
Compound class: Synthetic organic
Comment: Bulaquine is an 8-aminoquinoline derivative that has antimalarial activity and is a synthetic analogue of primaquine.
The INN record for bulaquine indicates that it is a racemic mixture.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 72.48
Molecular weight 369.21
XLogP 3.37
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES COc1cc(NC(CCCNC(=C2CCOC2=O)C)C)c2c(c1)cccn2
Isomeric SMILES COc1cc(NC(CCCN/C(=C/2\CCOC2=O)/C)C)c2c(c1)cccn2
InChI InChI=1S/C21H27N3O3/c1-14(6-4-9-22-15(2)18-8-11-27-21(18)25)24-19-13-17(26-3)12-16-7-5-10-23-20(16)19/h5,7,10,12-14,22,24H,4,6,8-9,11H2,1-3H3/b18-15+
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7927 bulaquine
Synonyms Click here for help
CDRI-80/53 | elubaquine
Database Links Click here for help
CAS Registry No. 79781-00-3 (source: Scifinder)
ChEMBL Ligand CHEMBL2106578
GtoPdb PubChem SID 385612174
PubChem CID 3036820
Search Google for chemical match using the InChIKey ADCOUXIGWFEYJP-OBGWFSINSA-N
Search Google for chemicals with the same backbone ADCOUXIGWFEYJP
Search PubMed clinical trials bulaquine
Search PubMed titles bulaquine
Search PubMed titles/abstracts bulaquine
UniChem Compound Search for chemical match using the InChIKey ADCOUXIGWFEYJP-OBGWFSINSA-N
UniChem Connectivity Search for chemical match using the InChIKey ADCOUXIGWFEYJP-OBGWFSINSA-N