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Compound Detail

CHEMBL5177528

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O=C(O)CC(O)(CC(=O)N1CCN(C(=O)c2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)CC1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5177528
Phase Preclinical
Structure Type MOL
InChI Key VIWIIATXBRTINX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

526.5
MW (Da)
-0.16
ALogP
9
HBA
5
HBD
210.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N2O11
MW 526.45
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 0.32

Literature References

PubMed DOI Target Context # Activities
35290845 10.1016/j.ejmech.2022.114270 Pyruvate kinase PKLR 3

Data from ChEMBL 36 via Core Engine