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Compound Detail

CHEMBL222824

SUCCINYLACETONE
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CC(=O)CC(=O)CCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222824
Name SUCCINYLACETONE
Phase Preclinical
Structure Type MOL
InChI Key WYEPBHZLDUPIOD-UHFFFAOYSA-N
7
Targets
9
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names

Molecular Properties

158.2
MW (Da)
0.40
ALogP
3
HBA
1
HBD
71.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H10O4
MW 158.15
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 1.09

Activity Summary

IC50 9 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 2A
CHEMBL1938210
 IC50 6.24 6.24 570.0 1
Histone lysine demethylase PHF8
CHEMBL1938212
 IC50 5.64 5.64 2300.0 1
Lysine-specific demethylase 5C
CHEMBL2163176
 IC50 5.35 5.35 4500.0 1
Unchecked
CHEMBL612545
 IC50 4.9 4.9 12700.0 1
Lysine-specific demethylase 6B
CHEMBL1938211
 IC50 4.78 4.78 16500.0 1
Egl nine homolog 1
CHEMBL5697
 IC50 4.75 4.75 18000.0 1
Lysine-specific demethylase 4E
CHEMBL1293226
 IC50 4.62 4.62 23900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 2A IC50 = 570.0 nM 6.24 Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine pept... 22724510
Histone lysine demethylase PHF8 IC50 = 2300.0 nM 5.64 Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine pepti... 22724510
Lysine-specific demethylase 5C IC50 = 4500.0 nM 5.35 Inhibition of human KDM5C catalytic domain expressed in Sf9 cells using methyl l... 22724510
Unchecked IC50 = 12700.0 nM 4.9 Inhibition of human KDM3A catalytic domain expressed in Sf9 cells methyl lysine ... 22724510
Lysine-specific demethylase 6B IC50 = 16500.0 nM 4.78 Inhibition of human KDM6B catalytic domain expressed in Escherichia coli using m... 22724510
Egl nine homolog 1 IC50 = 18000.0 nM 4.75 Inhibition of human PHD2 catalytic domain (181-426) by FRET assay 19775891
Lysine-specific demethylase 4E IC50 = 23900.0 nM 4.62 Inhibition of human KDM4E expressed in Escherichia coli using methyl lysine pept... 22724510

Literature References

PubMed DOI Target Context # Activities
17060533 10.1128/aac.00808-06 Plasmodium falciparum 5
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
19775891 10.1016/j.bmcl.2009.09.005 Egl nine homolog 1 1
22724510 10.1021/jm300677j Gamma-butyrobetaine dioxygenase 1
22724510 10.1021/jm300677j Egl nine homolog 1 1
22724510 10.1021/jm300677j Hypoxia-inducible factor 1-alpha inhibitor 1
22724510 10.1021/jm300677j Lysine-specific demethylase 6B 1
22724510 10.1021/jm300677j Lysine-specific demethylase 5C 1
22724510 10.1021/jm300677j Lysine-specific demethylase 4E 1
22724510 10.1021/jm300677j Unchecked 1
22724510 10.1021/jm300677j Histone lysine demethylase PHF8 1
22724510 10.1021/jm300677j Lysine-specific demethylase 2A 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine