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Compound Detail

CHEMBL40524

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CCOC(=O)N1CCC2(CC1)CC(=O)CO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL40524
Phase Preclinical
Structure Type MOL
InChI Key ZCWBLKIIAKJXBH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

227.3
MW (Da)
0.97
ALogP
4
HBA
0
HBD
55.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H17NO4
MW 227.26
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness -0.35

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
7739014 10.1021/jm00009a016 Rattus norvegicus 1
7739014 10.1021/jm00009a016 Unchecked 1

Data from ChEMBL 36 via Core Engine