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Compound Detail

CHEMBL461201

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COc1cc(C2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL461201
Phase Preclinical
Structure Type MOL
InChI Key AYHJMQNCWLNOEL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

494.9
MW (Da)
4.54
ALogP
7
HBA
1
HBD
98.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23ClN2O6
MW 494.93
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
18778048 10.1021/jm800328v ATP phosphoribosyltransferase 2

Data from ChEMBL 36 via Core Engine