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Compound Detail

CHEMBL390401

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O=C(O)c1ccc2c(c1)C1C=CCC1C(c1ccccc1)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL390401
Phase Preclinical
Structure Type MOL
InChI Key LKCVPAJAXLUURH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
4.21
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17NO2
MW 291.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
17367895 10.1016/j.ejmech.2007.01.017 Low molecular weight phosphotyrosine protein phosphatase 1

Data from ChEMBL 36 via Core Engine