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Compound Detail

CHEMBL192712

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CC1NC(=O)C(=O)OC1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL192712
Phase Preclinical
Structure Type MOL
InChI Key RVXHYESVPAJQTO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

143.1
MW (Da)
-0.56
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H9NO3
MW 143.14
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 1.17

Literature References

PubMed DOI Target Context # Activities
15828829 10.1021/jm049011j Liver carboxylesterase 1 2
15828829 10.1021/jm049011j Cocaine esterase 1
15828829 10.1021/jm049011j Acetylcholinesterase 1
15828829 10.1021/jm049011j Cholinesterase 1

Data from ChEMBL 36 via Core Engine