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Compound Detail

CHEMBL3622593

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CNC(=O)OC[C@H]1C[C@@H]1N(C)C.O=C(O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3622593
Phase Preclinical
Structure Type MOL
InChI Key MGOVPNIGDPBFEZ-HHQFNNIRSA-N
Parent Compound CHEMBL3623930
Active Moiety CHEMBL3623930
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

172.2
MW (Da)
0.29
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H18N2O6
MW 262.26
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 0.22

Activity Summary

Ki 4 meas.

Literature References

PubMed DOI Target Context # Activities
26298493 10.1016/j.ejmech.2015.07.029 Neuronal acetylcholine receptor; alpha4/beta2 2
26298493 10.1016/j.ejmech.2015.07.029 Neuronal acetylcholine receptor; alpha4/beta4 2
26298493 10.1016/j.ejmech.2015.07.029 Neuronal acetylcholine receptor; alpha3/beta4 2

Data from ChEMBL 36 via Core Engine