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Compound Detail

CHEMBL324253

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COc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)co2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL324253
Phase Preclinical
Structure Type MOL
InChI Key NTANCIWKMGUPAC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
3.91
ALogP
5
HBA
1
HBD
73.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N2O4
MW 350.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
7830278 10.1021/jm00002a017 Homo sapiens 1

Data from ChEMBL 36 via Core Engine