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Compound Detail

CHEMBL609149

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CN(C)C(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)C1N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL609149
Phase Preclinical
Structure Type MOL
InChI Key IUHMWLMDASQDJQ-WMCAAGNKSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
2.12
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.79
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 C16H23N3O2
MW 289.38
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.81

Activity Summary

IC50 2 meas. best 6.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetylcholinesterase
CHEMBL220
 IC50 6.01 6.01 970.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acetylcholinesterase IC50 = 970.0 nM 6.01 Inhibitory activity against Acetylcholinesterase 8978837
Acetylcholinesterase IC50 = 970.51 nM 6.01 Inhibition acetylcholinesterase (AChE) enzyme. 9435905

Literature References

PubMed DOI Target Context # Activities
8978837 10.1021/jm950771r Acetylcholinesterase 1
9435905 10.1021/jm970488n Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine