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Compound Detail

CHEMBL3238492

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O=C(O)c1cc(C(=O)O)c2cc(/N=N/c3ccc(-c4ccccc4)cc3)ccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3238492
Phase Preclinical
Structure Type MOL
InChI Key TWLZUMSVEOROEH-OCEACIFDSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
5.71
ALogP
5
HBA
2
HBD
112.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H15N3O4
MW 397.39
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.55

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
24686010 10.1016/j.ejmech.2014.03.056 Unchecked 1

Data from ChEMBL 36 via Core Engine