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Compound Detail

CHEMBL4785466

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COc1ccc(-n2cc(-c3ccc(C(=O)O)cc3)c3cc(-c4ccc(C(=O)O)cc4)cnc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4785466
Phase Preclinical
Structure Type MOL
InChI Key KXCGHRXTXUKKFJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.5
MW (Da)
5.76
ALogP
5
HBA
2
HBD
101.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H20N2O5
MW 464.48
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
33210922 10.1021/acs.jmedchem.0c01265 Tyrosine-protein phosphatase non-receptor type 11 1

Data from ChEMBL 36 via Core Engine