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Compound Detail

CHEMBL5171288

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O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)N1CCCC(C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)O)C1)c(O)c2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5171288
Phase Preclinical
Structure Type MOL
InChI Key FZGPMZXOGNAYPO-UWBLVGDVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

568.6
MW (Da)
0.81
ALogP
9
HBA
5
HBD
207.1
PSA (Ų)
0.20
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N4O9S
MW 568.56
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.40

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