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Compound Detail

CHEMBL4568716

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COc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccc(C4CCNCC4)cc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4568716
Phase Preclinical
Structure Type MOL
InChI Key CSVCDUBJIZZCOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
4.78
ALogP
4
HBA
3
HBD
87.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N2O4
MW 430.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
31376563 10.1016/j.ejmech.2019.111564 P2Y purinoceptor 14 2

Data from ChEMBL 36 via Core Engine