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Compound Detail

CHEMBL1672296

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CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1672296
Phase Preclinical
Structure Type MOL
InChI Key AWUJQOHTFHUCKE-PDGQHHTCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

500.6
MW (Da)
2.89
ALogP
10
HBA
0
HBD
88.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N2O6S2
MW 500.60
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
21503265 10.1021/ml100103p Tyrosine-protein phosphatase non-receptor type 7 2
21503265 10.1021/ml100103p Dual specificity protein phosphatase 3 1
21503265 10.1021/ml100103p Dual specificity protein phosphatase 6 1

Data from ChEMBL 36 via Core Engine