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Compound Detail

CHEMBL1916860

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O=S(=O)(c1ccccc1)N1N=C(c2ccccc2O)C[C@H]1c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1916860
Phase Preclinical
Structure Type MOL
InChI Key OCMIHTWLNUIYFA-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
3.64
ALogP
5
HBA
2
HBD
90.2
PSA (Ų)
0.71
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 C21H18N2O4S
MW 394.45
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.68

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