General
Preferred name
MMV390048
Synonyms
MMV-048 ()
MMV-390048 ()
MMV048 ()
J3.367.891F ()
P&D ID
PD078692
CAS
1314883-11-8
Tags
available
drug candidate
Drug Status
investigational
Max Phase
2.0
Drug indication
Malaria
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Phenotypic whole cell high-throughput screening has identified the 2-aminopyridines as a class of small molecules with promising antimalarial activity . The optimised lead compound from this class, MMV048, has activity against all lifecycle stages of the Plasmodium parasite, with the exception of late stage hypnozoites .
MMV048 has progressed to clinical evaluation and was awarded MMV Project of the Year award (2012).
Potential Target/Mechanism Of Action: Genomic and chemoproteomic experiments provide significant evidence that the molecular target of MMV048 is the Plasmodium lipid kinase, phosphatidylinositol 4-kinase (PfPI4K) .
MMV048 has progressed to clinical evaluation and was awarded MMV Project of the Year award (2012).
Potential Target/Mechanism Of Action: Genomic and chemoproteomic experiments provide significant evidence that the molecular target of MMV048 is the Plasmodium lipid kinase, phosphatidylinositol 4-kinase (PfPI4K) .
DESCRIPTION
MMV390048 is a representative of a new chemical class of Plasmodium PI4K inhibitor (Kdapp=0.3 ¦ÌM). MMV390048 binds to the ATP binding site of Plasmodium PI4K and does not bind to other P. falciparum and human kinases apart from human PIP4K2C, thus alleviating potential kinase-mediated safety concerns. MMV390048 is an antimalarial agent[1].
PRICE
105
DESCRIPTION
MMV390048 is an antimalarial agent and is a representative of a new chemical class of Plasmodium PI4K inhibitor (Kdapp=0.3 ??M). MMV390048 binds to the ATP binding site of Plasmodium PI4K and does not bind to other P. falciparum and human kinases apart from human PIP4K2C, thus alleviating potential kinase-mediated safety concerns.
DESCRIPTION
MMV048 is the optimised lead compound for the 2-aminopyridines, a class of small molecules with promising antimalarial activity .
The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY. (GtoPdb)
The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY. (GtoPdb)
DESCRIPTION
MMV390048 is an antimalarial agent and is a representative of a new chemical class of Plasmodium PI4K inhibitor (Kdapp=0.3 μM). MMV390048 binds to the ATP binding site of Plasmodium PI4K and does not bind to other P. falciparum and human kinases apart from human PIP4K2C, thus alleviating potential kinase-mediated safety concerns.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
2
Compound Sets
8
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Molecular Weight
393.08
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
3
cLogP
3.82
TPSA
85.94
Fraction CSP3
0.11
Chiral centers
0.0
Largest ring
6.0
QED
0.73
QED
0.73
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Parasite
PI4K
MOA
PI4K inhibitor
Pathway
Microbiology/virology
PI3K/Akt/mTOR signaling
Anti-infection
PI3K/Akt/mTOR
VGSC Target
Nav1.5
Source data
