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Compound Detail

CHEMBL258538

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O=C(O)c1ccc2c(c1)C(=O)N(C(Cc1ccc(O)cc1)C(=O)O)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258538
Phase Preclinical
Structure Type MOL
InChI Key QISJEFYTLZTWIQ-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

355.3
MW (Da)
1.38
ALogP
5
HBA
3
HBD
132.2
PSA (Ų)
0.69
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 C18H13NO7
MW 355.30
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.26

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18333608 10.1021/jm701500e Unchecked 4
18333608 10.1021/jm701500e Cruzipain 2

Data from ChEMBL 36 via Core Engine