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Compound Detail

CHEMBL2164251

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Cc1ccc(C(OCC(=O)NO)P(=O)(O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2164251
Phase Preclinical
Structure Type MOL
InChI Key MHACMGKSNPRZGQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

275.2
MW (Da)
0.69
ALogP
4
HBA
4
HBD
116.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14NO6P
MW 275.20
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.29

Activity Summary

IC50 1 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.75 5.75 1800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1800.0 nM 5.75 Inhibition of recombinant Plasmodium falciparum recombinant IspC using [3,4,5-13... 22731758

Literature References

PubMed DOI Target Context # Activities
22731758 10.1021/jm300652f Plasmodium falciparum 2
22731758 10.1021/jm300652f Unchecked 1

Data from ChEMBL 36 via Core Engine