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Compound Detail

CHEMBL1088324

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O=C(O)CCP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1088324
Phase Preclinical
Structure Type MOL
InChI Key NLBSQHGCGGFVJW-UHFFFAOYSA-N
0
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

154.1
MW (Da)
-0.36
ALogP
2
HBA
3
HBD
94.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C3H7O5P
MW 154.06
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 0.67

Activity Summary

Ki 3 meas.
IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19822427 10.1016/j.bmcl.2009.09.077 Succinyl-diaminopimelate desuccinylase 2
24583353 10.1016/j.ejmech.2014.02.008 Fe(3+)-Zn(2+) purple acid phosphatase 1
31445230 10.1016/j.ejmech.2019.111611 Fe(3+)-Zn(2+) purple acid phosphatase 1
37252104 10.1039/d3md00113j Metallothiol transferase FosB 1
37252104 10.1039/d3md00113j HEK293 1
37252104 10.1039/d3md00113j HepG2 1

Data from ChEMBL 36 via Core Engine