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Compound Detail

CHEMBL2367723

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CC1(C)[C@@H]2CC[C@]1(C)C(=O)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2367723
Phase Preclinical
Structure Type MOL
InChI Key VNQXSTWCDUXYEZ-LHLIQPBNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

166.2
MW (Da)
1.58
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H14O2
MW 166.22
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 1.63

Literature References

PubMed DOI Target Context # Activities
17941623 10.1021/jm0706867 Acetylcholinesterase 1
17941623 10.1021/jm0706867 Cholinesterase 1
17941623 10.1021/jm0706867 Unchecked 1
17941623 10.1021/jm0706867 Liver carboxylesterase 1 1

Data from ChEMBL 36 via Core Engine