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Compound Detail

CHEMBL5175459

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O=C(O)CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)CC1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5175459
Phase Preclinical
Structure Type MOL
InChI Key CNWVYQLMVIRQGV-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

560.5
MW (Da)
0.71
ALogP
9
HBA
5
HBD
215.7
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N2O11S
MW 560.54
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.21

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