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Compound Detail

CHEMBL5094598

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O=S(=O)(Nc1ccc(-c2nn[nH]n2)cc1Oc1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5094598
Phase Preclinical
Structure Type MOL
InChI Key AJVJHLHJTUPOTR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
3.46
ALogP
6
HBA
2
HBD
109.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N5O3S
MW 393.43
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
34718128 10.1016/j.bmcl.2021.128421 Unchecked 1

Data from ChEMBL 36 via Core Engine