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Compound Detail

CHEMBL4208741

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COC(=O)N(O)C/C=C/P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4208741
Phase Preclinical
Structure Type MOL
InChI Key AOTHDUJPZVXHLQ-CSKARUKUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.4
MW (Da)
3.28
ALogP
10
HBA
1
HBD
137.9
PSA (Ų)
0.14
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H30NO10P
MW 439.40
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 0.23

Activity Summary

IC50 1 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 4.62 4.62 23700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 23700.0 nM 4.62 Growth inhibition of Plasmodium falciparum 3D7 asynchronous cultures by PicoGree... 30192536

Literature References

PubMed DOI Target Context # Activities
30192536 10.1021/acs.jmedchem.8b01026 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine