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Compound Detail

CHEMBL4743578

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COc1ccc(-n2c(Nc3ccc(OC(C)C)c(F)c3)nc(=O)n(C(C)C)c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4743578
Phase Preclinical
Structure Type MOL
InChI Key GFUZRYXWDRWCOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
3.65
ALogP
8
HBA
1
HBD
87.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25FN4O4
MW 428.46
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
33540044 10.1016/j.bmcl.2021.127833 P2X purinoceptor 3 1

Data from ChEMBL 36 via Core Engine