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Compound Detail

CHEMBL4877741

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COC(=O)CCC(=O)C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4877741
Phase Preclinical
Structure Type MOL
InChI Key TXIXSLPEABAEHP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

174.2
MW (Da)
-0.32
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H10O5
MW 174.15
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 0.31

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
33894507 10.1016/j.bmc.2021.116141 Unchecked 3
38294854 10.1021/acs.jmedchem.3c01820 Methylcytosine dioxygenase TET1 3
38294854 10.1021/acs.jmedchem.3c01820 Unchecked 2
38294854 10.1021/acs.jmedchem.3c01820 Methylcytosine dioxygenase TET2 1
38294854 10.1021/acs.jmedchem.3c01820 Methylcytosine dioxygenase TET3 1
38294854 10.1021/acs.jmedchem.3c01820 U2OS 1

Data from ChEMBL 36 via Core Engine