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Compound Detail

CHEMBL4458103

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Nc1nc(N)c2ncn(C[C@H](CO)OCP(=O)(O)O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4458103
Phase Preclinical
Structure Type MOL
InChI Key XGTJCNSZEASLLL-RXMQYKEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.2
MW (Da)
-1.50
ALogP
9
HBA
5
HBD
182.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H15N6O5P
MW 318.23
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.01

Activity Summary

IC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 15000.0 nM 4.82 Antimalarial activity against synchronized Plasmodium falciparum K1 ring form in... 30964283

Literature References

PubMed DOI Target Context # Activities
30964283 10.1021/acs.jmedchem.9b00182 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine