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Compound Detail

CHEMBL5437139

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CC1(C)C(=O)N2c3ccccc3[C@@]3(C[C@@H](n4cnc5ccccc5c4=O)C(=O)O3)[C@@H]2N1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5437139
Phase Preclinical
Structure Type MOL
InChI Key NRWLZYIHXSJKCU-MONBJTKQSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
1.94
ALogP
8
HBA
1
HBD
105.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H20N4O5
MW 432.44
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.97

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