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Compound Detail

CHEMBL1916862

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Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3O)C[C@H]2c2ccc(O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1916862
Phase Preclinical
Structure Type MOL
InChI Key OBZXLBFBRIQSQU-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
3.95
ALogP
5
HBA
2
HBD
90.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N2O4S
MW 408.48
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
21940166 10.1016/j.bmcl.2011.08.052 Yersinia pestis 7
21940166 10.1016/j.bmcl.2011.08.052 Mycobacterium tuberculosis 7

Data from ChEMBL 36 via Core Engine