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Compound Detail

CHEMBL4644503

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CCOC(=O)N=S(=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1ccc(C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4644503
Phase Preclinical
Structure Type MOL
InChI Key RNRHFHJXVCOVSF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.6
MW (Da)
4.69
ALogP
4
HBA
2
HBD
96.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N3O4S
MW 441.55
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
32292543 10.1021/acsmedchemlett.9b00433 NACHT, LRR and PYD domains-containing protein 3 1

Data from ChEMBL 36 via Core Engine