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Compound Detail

CHEMBL4528248

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O=C1CCC(N2Cc3c(cccc3S(=O)(=O)Cc3ccc(CN4CCOCC4)cc3)C2=O)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4528248
Phase Preclinical
Structure Type MOL
InChI Key VMDMEEWOYPGCJO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

497.6
MW (Da)
1.25
ALogP
7
HBA
1
HBD
113.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N3O6S
MW 497.57
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
31125896 10.1016/j.ejmech.2019.05.035 Unchecked 1

Data from ChEMBL 36 via Core Engine