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Compound Detail

CHEMBL4076484

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CN(C)c1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3c2C(=O)C(=O)C=C3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4076484
Phase Preclinical
Structure Type MOL
InChI Key OBXKMRAUEJLYDH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
3.24
ALogP
6
HBA
0
HBD
76.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N2O4S
MW 406.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
29313684 10.1021/acs.jmedchem.7b01176 ELAV-like protein 1 2

Data from ChEMBL 36 via Core Engine