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Compound Detail

CHEMBL3331092

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COc1cc2c3c(n(C)c2cc1OC)C(=O)c1ccccc1C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3331092
Phase Preclinical
Structure Type MOL
InChI Key OMZQJXJZHLKEQR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
2.97
ALogP
5
HBA
0
HBD
57.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15NO4
MW 321.33
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.29

Literature References

PubMed DOI Target Context # Activities
25127463 10.1016/j.bmc.2014.07.030 Trypanosoma cruzi 1
25127463 10.1016/j.bmc.2014.07.030 Vero 1
25127463 10.1016/j.bmc.2014.07.030 NON-PROTEIN TARGET 1
25127463 10.1016/j.bmc.2014.07.030 MCF7 1
25127463 10.1016/j.bmc.2014.07.030 MDA-MB-231 1
25127463 10.1016/j.bmc.2014.07.030 ADMET 1

Data from ChEMBL 36 via Core Engine