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Compound Detail

CHEMBL5570395

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C#CN(C)S(=O)(=O)c1ccc(CN(C)c2ccc(N3CCOCC3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5570395
Phase Preclinical
Structure Type MOL
InChI Key PSGVTOPOUCRHHK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
2.37
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N3O3S
MW 399.52
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.67

Literature References

PubMed DOI Target Context # Activities
38265413 10.1021/acs.jmedchem.3c01608 ASPC1 1

Data from ChEMBL 36 via Core Engine