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Chemical structure of MMV009085

GC69481

MMV009085

Also known as 6,13-bis(4-hydroxybutyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

MMV009085 is an effective inhibitor of the Plasmodium falciparum hexose transporter PfHT1, making it a potential anti-malaria compound· It also inhibits human glucose transporters, with strong inhibitory effects on glucose uptake (IC50: 2·6 μM) and parasite growth (EC50: 1·23±0·04 μM; 3D7)

ChemicalCAS298217-59-1MW410.42FormulaC22H22N2O6
CAS number
298217-59-1
Molecular weight
410.42
Formula
C22H22N2O6
Solubility
DMSO ： ≥ 100 mg/mL (243·65 mM); H2O ： < 0·1 mg/mL (insoluble)
InChIKey
XZBVMYTVRGGDKI-UHFFFAOYSA-N
Catalogue number
GC69481
Brand
GLPBIO
Computed properties PubChem CID 3130863 · XLogP 1.2 · TPSA 115 Ų · H-bond donors 2
XLogP
1.2
TPSA
115 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
30

SMILES C1=CC2=C3C(=CC=C4C3=C1C(=O)N(C4=O)CCCCO)C(=O)N(C2=O)CCCCO

Computed descriptors from PubChem (CID 3130863), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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