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Compound Detail

CHEMBL498475

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O=C1Nc2ccccc2/C1=N/Nc1cccc(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL498475
Phase Preclinical
Structure Type MOL
InChI Key VUANULQLWQUHFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
2.15
ALogP
4
HBA
3
HBD
90.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11N3O3
MW 281.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
18680359 10.1021/jm8002526 Tyrosine-protein phosphatase non-receptor type 11 1

Data from ChEMBL 36 via Core Engine