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Compound Detail

CHEMBL62749

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COc1ccc(C2C(O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL62749
Phase Preclinical
Structure Type MOL
InChI Key QTAQYANFBPYPJG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
1.56
ALogP
7
HBA
1
HBD
90.3
PSA (Ų)
0.78
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 C18H20N2O6
MW 360.37
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.29

Literature References

PubMed DOI Target Context # Activities
15080975 10.1016/j.bmcl.2004.02.050 IMR-32 1

Data from ChEMBL 36 via Core Engine