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Compound Detail

CHEMBL3393165

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C=CCNC(=O)/C(C#N)=C/c1ccc(O)c(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3393165
Phase Preclinical
Structure Type MOL
InChI Key PRDLQYUBEYSDKL-UXBLZVDNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

307.1
MW (Da)
2.36
ALogP
3
HBA
2
HBD
73.1
PSA (Ų)
0.51
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 C13H11BrN2O2
MW 307.15
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
25159123 10.1016/j.ejmech.2014.08.060 Protein tyrosine phosphatase type IVA 3 1
25159123 10.1016/j.ejmech.2014.08.060 Protein tyrosine phosphatase type IVA 2 1
25159123 10.1016/j.ejmech.2014.08.060 Protein tyrosine phosphatase type IVA 1 1

Data from ChEMBL 36 via Core Engine