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Compound Detail

CHEMBL3764814

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O=C(O)c1cc2c(s1)C(=O)c1c(Br)cccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3764814
Phase Preclinical
Structure Type MOL
InChI Key OMEKCYIPYGMURA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.1
MW (Da)
2.98
ALogP
4
HBA
1
HBD
71.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H5BrO4S
MW 337.15
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.11

Literature References

PubMed DOI Target Context # Activities
26840368 10.1016/j.ejmech.2016.01.040 HaCaT 2

Data from ChEMBL 36 via Core Engine