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Compound Detail

CHEMBL4125741

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CCOC(=O)c1ccc(N2CC(C(=O)c3ccc(OC)cc3)=C(O)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4125741
Phase Preclinical
Structure Type MOL
InChI Key FWYZKWKOUCUIDN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
2.91
ALogP
6
HBA
1
HBD
93.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19NO6
MW 381.38
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
29805055 10.1016/j.bmcl.2017.04.060 P2X purinoceptor 3 1

Data from ChEMBL 36 via Core Engine