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Compound Detail

CHEMBL3144822

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Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1c(O)cc(S(=O)(=O)O)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3144822
Phase Preclinical
Structure Type MOL
InChI Key XZXCWRSZJMLMQQ-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

424.4
MW (Da)
3.99
ALogP
7
HBA
3
HBD
137.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N4O5S
MW 424.44
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.60

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
15050628 10.1016/j.bmcl.2004.01.079 Unchecked 1
15050628 10.1016/j.bmcl.2004.01.079 Tyrosine-protein phosphatase non-receptor type 1 1
15050628 10.1016/j.bmcl.2004.01.079 Tyrosine-protein phosphatase 1 1

Data from ChEMBL 36 via Core Engine