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Compound Detail

CHEMBL5435228

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Cc1cc(/C=C/C(=O)c2ccc(C(=O)NCC(=O)Nc3ccccc3)cc2)cc(C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5435228
Phase Preclinical
Structure Type MOL
InChI Key BCNODXOHWIIHMF-MDWZMJQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
4.27
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N2O4
MW 428.49
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
38283225 10.1039/d3md00451a NACHT, LRR and PYD domains-containing protein 3 1

Data from ChEMBL 36 via Core Engine