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Compound Detail

CHEMBL5202844

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Cc1nn(-c2ccccc2)c(C)c1C=C1C(=O)Nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202844
Phase Preclinical
Structure Type MOL
InChI Key GDXRGTCDBYAYBA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.98
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N3O
MW 315.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.22

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
34780899 10.1016/j.bmcl.2021.128449 Unchecked 2

Data from ChEMBL 36 via Core Engine