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Compound Detail

CHEMBL167979

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Cl.OCCN1CCC(CCc2cccc3ccccc23)CC1

Basic Information

ChEMBL ID CHEMBL167979
Phase Preclinical
Structure Type MOL
InChI Key UAXRTMLZYSWOFQ-UHFFFAOYSA-N
Parent Compound CHEMBL1181361
Active Moiety CHEMBL1181361
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
3.48
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26ClNO
MW 319.88
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.58

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
3351860 10.1021/jm00399a022 Acetylcholinesterase 2
3351860 10.1021/jm00399a022 Choline O-acetyltransferase 1
3351860 10.1021/jm00399a022 Cavia porcellus 1
3351860 10.1021/jm00399a022 Unchecked 1

Data from ChEMBL 36 via Core Engine