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Compound Detail

CHEMBL4764690

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COc1ccc(-n2cc(-c3cncnc3)c3cc(-c4ccc(C(=O)O)cc4)cnc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4764690
Phase Preclinical
Structure Type MOL
InChI Key KCAHEPAVGYNJED-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.4
MW (Da)
4.86
ALogP
6
HBA
1
HBD
90.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H18N4O3
MW 422.44
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -0.83

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