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Compound Detail

CHEMBL5437191

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O=C1O[C@]2(C[C@H]1n1cnc3ccccc3c1=O)C(=O)Nc1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5437191
Phase Preclinical
Structure Type MOL
InChI Key WXXWBNXZGRMTHR-BEFAXECRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

347.3
MW (Da)
1.73
ALogP
6
HBA
1
HBD
90.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H13N3O4
MW 347.33
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.37

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
36375335 10.1016/j.ejmech.2022.114915 HepG2 1
36375335 10.1016/j.ejmech.2022.114915 Unchecked 1
36375335 10.1016/j.ejmech.2022.114915 A549 1
36375335 10.1016/j.ejmech.2022.114915 MCF7 1
36375335 10.1016/j.ejmech.2022.114915 SK-MEL-28 1

Data from ChEMBL 36 via Core Engine