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Compound Detail

CHEMBL4126976

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CCOC(=O)c1ccc(N2C(=O)C=C(C(=O)c3ccc(OC)cc3)C2c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4126976
Phase Preclinical
Structure Type MOL
InChI Key RJJCCENEVZBSSE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
4.77
ALogP
5
HBA
0
HBD
72.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23NO5
MW 441.48
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.31

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