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Compound Detail

CHEMBL358320

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O=P(O)(O)OCC(O)CO

Basic Information

ChEMBL ID CHEMBL358320
Phase Preclinical
Structure Type MOL
InChI Key AWUCVROLDVIAJX-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

172.1
MW (Da)
-1.55
ALogP
4
HBA
4
HBD
107.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C3H9O6P
MW 172.07
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 1.78

Activity Summary

EC50 1 meas.
Kd 1 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Kd 6.42 6.42 380.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Kd = 380.0 nM 6.42 Compound was tested for binding affinity against tryptophan synthase 12036355

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
12036355 10.1021/jm0200299 Unchecked 1
12383012 10.1021/jm020224n Unchecked 1
20020916 10.1080/15376510701857262 Phospholipidosis 1

Data from ChEMBL 36 via Core Engine