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Compound Detail

CHEMBL3971131

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CN1C(=O)C(=O)c2c1ccc1c2C(CC(=O)Nc2ccccc2)Nc2ccccc2-1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3971131
Phase Preclinical
Structure Type MOL
InChI Key SMDSIKSPWGIMCP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
4.01
ALogP
4
HBA
2
HBD
78.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19N3O3
MW 397.43
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.32

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27487567 10.1016/j.ejmech.2016.07.044 Unchecked 1

Data from ChEMBL 36 via Core Engine