Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL390356

ISOCITRIC ACID
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(O)C[C@H](C(=O)O)[C@@H](O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL390356
Name ISOCITRIC ACID
Phase Preclinical
Structure Type MOL
InChI Key ODBLHEXUDAPZAU-ZAFYKAAXSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

192.1
MW (Da)
-1.39
ALogP
4
HBA
4
HBD
132.1
PSA (Ų)
0.42
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 C6H8O7
MW 192.12
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 1.22

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17116397 10.1016/j.bmc.2006.11.008 Homoisocitrate dehydrogenase, mitochondrial 1
30737136 10.1016/j.bmc.2019.01.018 Prolyl 4-hydroxylase 1

Data from ChEMBL 36 via Core Engine