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Compound Detail

CHEMBL360298

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COc1ccc(NC(=O)c2cc(N)ccc2Oc2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL360298
Phase Preclinical
Structure Type MOL
InChI Key UXHLVIUONDZDIR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
4.33
ALogP
5
HBA
2
HBD
82.8
PSA (Ų)
0.64
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 C21H20N2O4
MW 364.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
15501029 10.1016/j.bmcl.2004.09.057 NON-PROTEIN TARGET 1
15501029 10.1016/j.bmcl.2004.09.057 Beta-TC6 1

Data from ChEMBL 36 via Core Engine