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Compound Detail

CHEMBL4468600

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O=S(=O)(Nc1ccc(O)c2ncccc12)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4468600
Phase Preclinical
Structure Type MOL
InChI Key CRAOGBGVUYSBBJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.8
MW (Da)
3.39
ALogP
4
HBA
2
HBD
79.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11ClN2O3S
MW 334.78
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
30529546 10.1016/j.ejmech.2018.11.018 Bromodomain-containing protein 4 2

Data from ChEMBL 36 via Core Engine