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Compound Detail

CHEMBL4762351

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O=C(O)c1ccc(-c2cnc3c(c2)c(-c2ccc4nonc4c2)nn3C2CCCCO2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4762351
Phase Preclinical
Structure Type MOL
InChI Key PODVDORMHMLACX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.4
MW (Da)
4.70
ALogP
8
HBA
1
HBD
116.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19N5O4
MW 441.45
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.92

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