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Compound Detail

CHEMBL4554140

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O=S(=O)(O)c1ccc2cccc(O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4554140
Phase Preclinical
Structure Type MOL
InChI Key QLJOSEUOQHDGTQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

225.2
MW (Da)
1.19
ALogP
4
HBA
2
HBD
87.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H7NO4S
MW 225.22
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
30529546 10.1016/j.ejmech.2018.11.018 Bromodomain-containing protein 4 3

Data from ChEMBL 36 via Core Engine