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

CHEMBL5180931

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)CC(O)(CC(=O)N1CCN(S(=O)(=O)c2cc(O)c3c(c2)C(=O)c2ccccc2C3=O)CC1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5180931
Phase Preclinical
Structure Type MOL
InChI Key JXJXRZQJVNMSLT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

546.5
MW (Da)
-0.32
ALogP
9
HBA
4
HBD
206.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N2O11S
MW 546.51
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.06

Literature References

PubMed DOI Target Context # Activities
35290845 10.1016/j.ejmech.2022.114270 Pyruvate kinase PKLR 2

Data from ChEMBL 36 via Core Engine