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Compound Detail

CHEMBL216860

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CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3cc(Br)c(Br)s3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL216860
Phase Preclinical
Structure Type MOL
InChI Key BPYPBNFBTYPAAJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

577.7
MW (Da)
6.46
ALogP
5
HBA
1
HBD
76.4
PSA (Ų)
0.30
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12Br2ClNO4S2
MW 577.70
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
17181139 10.1021/jm0610200 Unchecked 3

Data from ChEMBL 36 via Core Engine