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Compound Detail

CHEMBL4073683

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O=C1C(=O)c2c(-c3ccccc3)cn(S(=O)(=O)c3ccccc3)c2C2=C1C1C=CC2CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4073683
Phase Preclinical
Structure Type MOL
InChI Key KDMWFCFRGLFGTK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
4.51
ALogP
5
HBA
0
HBD
73.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H19NO4S
MW 441.51
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.09

Literature References

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

Data from ChEMBL 36 via Core Engine