MMV008138

Ligand id: 10229

Name: MMV008138

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 65.12
Molecular weight 360.04
XLogP 4.08
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[5,4-b]indole-3-carboxylic acid
Synonyms
GNF-Pf-4188 | TCMDC-125815
Comments
MMV008138 was identified from a phenotypic screen as having antimalarial activity and included in the MMV Malaria box.
The 1R,3S enantiomer, represented by PubChem CID 987146, has the highest antimalarial potency [1-2].
Database Links
CAS Registry No. 1217513-24-0 (source: Scifinder)
ChEMBL Ligand CHEMBL527593
GtoPdb PubChem SID 381744911
PubChem CID 2829106
Search Google for chemical match using the InChIKey ZJDRIKAAFJMYGX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZJDRIKAAFJMYGX
Search UniChem for chemical match using the InChIKey ZJDRIKAAFJMYGX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZJDRIKAAFJMYGX