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Compound Detail

CHEMBL5077474

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N=C(NO)c1ccc(NS(=O)(=O)c2ccccc2)c(Oc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5077474
Phase Preclinical
Structure Type MOL
InChI Key CCOREFSSXLRRCG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
3.58
ALogP
5
HBA
4
HBD
111.5
PSA (Ų)
0.30
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 C19H17N3O4S
MW 383.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.95

Literature References

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

Data from ChEMBL 36 via Core Engine