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Compound Detail

CHEMBL90953

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CC(C)Oc1ccc2[nH]c([S+]([O-])Cc3ccccn3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL90953
Phase Preclinical
Structure Type MOL
InChI Key DUOGWOXBNMLGQM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.05
ALogP
4
HBA
1
HBD
73.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N3O2S
MW 315.40
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.28

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11128645 10.1016/s0960-894x(00)00539-4 Receptor-type tyrosine-protein phosphatase C 1

Data from ChEMBL 36 via Core Engine