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Compound Detail

CHEMBL4585569

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CC(C)c1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccc(C4CCNCC4)cc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4585569
Phase Preclinical
Structure Type MOL
InChI Key LWQPUHDGYBYISF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
5.89
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.44
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 C28H30N2O3
MW 442.56
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.71

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