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Compound Detail

CHEMBL114894

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CC1(C)O[C@H](COP(=O)(O)O)[C@H](C(N)=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL114894
Phase Preclinical
Structure Type MOL
InChI Key DMGQLCKINCIPPT-RFZPGFLSSA-N
0
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

255.2
MW (Da)
-0.90
ALogP
5
HBA
3
HBD
128.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H14NO7P
MW 255.16
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 1.40

Activity Summary

IC50 2 meas.
Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
15189039 10.1021/jm031066i 6-phosphogluconate dehydrogenase, decarboxylating 2
15189039 10.1021/jm031066i Unchecked 1
15189039 10.1021/jm031066i Trypanosoma brucei 1
15189039 10.1021/jm031066i Trypanosoma cruzi 1
15189039 10.1021/jm031066i Leishmania donovani 1
15189039 10.1021/jm031066i Plasmodium falciparum 1
15189039 10.1021/jm031066i L6 1

Data from ChEMBL 36 via Core Engine