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Compound Detail

CHEMBL437759

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COc1cccc(-c2nc3ccc(C(=O)O)cc3nc2-c2cccc(OC)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL437759
Phase Preclinical
Structure Type MOL
InChI Key GCLWCZPPWUFWBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
4.68
ALogP
5
HBA
1
HBD
81.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18N2O4
MW 386.41
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
17258458 10.1016/j.bmcl.2006.12.103 Unchecked 1
21478016 10.1016/j.bmcl.2011.03.042 Unchecked 1
21478016 10.1016/j.bmcl.2011.03.042 Nucleic Acid 1

Data from ChEMBL 36 via Core Engine