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Compound Detail

CHEMBL3780941

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Cc1c(O)c(=O)ccn1-c1ccc(OC(=O)N(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3780941
Phase Preclinical
Structure Type MOL
InChI Key BULDGUXDZDZVRS-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
1.91
ALogP
5
HBA
1
HBD
71.8
PSA (Ų)
0.92
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 C15H16N2O4
MW 288.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.67

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26869193 10.1016/j.bmcl.2016.01.080 Acetylcholinesterase 3
26869193 10.1016/j.bmcl.2016.01.080 No relevant target 1

Data from ChEMBL 36 via Core Engine