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Compound Detail

CHEMBL4527574

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O=S(=O)(NN=C(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4527574
Phase Preclinical
Structure Type MOL
InChI Key RJAHYFKPYVFUKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
4.57
ALogP
3
HBA
1
HBD
58.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18N2O2S
MW 386.48
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
30738655 10.1016/j.bmc.2019.01.043 Bacterial urease 1

Data from ChEMBL 36 via Core Engine