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Compound Detail

CHEMBL1672020

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CC(=O)NC(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1672020
Phase Preclinical
Structure Type MOL
InChI Key OTDCZHSIOIIKOM-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
2.43
ALogP
5
HBA
1
HBD
66.0
PSA (Ų)
0.90
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 C19H19NO5
MW 341.36
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.09

Activity Summary

EC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
21227702 10.1016/j.bmc.2010.11.054 HEK293 2
21227702 10.1016/j.bmc.2010.11.054 SH-SY5Y 1
21227702 10.1016/j.bmc.2010.11.054 DG-75 1

Data from ChEMBL 36 via Core Engine