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Compound Detail

CHEMBL1652265

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Nc1ncnc2c1ncn2C[C@H](CO)OCP(=O)(O)O

Basic Information

ChEMBL ID CHEMBL1652265
Phase Preclinical
Structure Type MOL
InChI Key FRPXSOOHWNMLPH-ZCFIWIBFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

303.2
MW (Da)
-1.08
ALogP
8
HBA
4
HBD
156.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H14N5O5P
MW 303.21
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.09

Activity Summary

IC50 1 meas. best 5.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 5.22 5.22 6000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 6000.0 nM 5.22 Antimalarial activity against synchronized Plasmodium falciparum K1 ring form in... 30964283

Literature References

PubMed DOI Target Context # Activities
19289518 10.1128/aac.01546-08 Hepatitis C virus 2
19289518 10.1128/aac.01546-08 ADMET 1
30964283 10.1021/acs.jmedchem.9b00182 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine