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Compound Detail

CHEMBL542506

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CCCN(C)C(=O)Oc1cccc2c1C(N)CC2.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL542506
Phase Preclinical
Structure Type MOL
InChI Key MQZKEKCMXOGKQM-UHFFFAOYSA-N
Parent Compound CHEMBL1191411
Active Moiety CHEMBL1191411
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
2.47
ALogP
3
HBA
1
HBD
55.6
PSA (Ų)
0.89
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 C14H21ClN2O2
MW 284.79
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.28

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
12431053 10.1021/jm020120c Amine oxidase [flavin-containing] A 1
12431053 10.1021/jm020120c Amine oxidase [flavin-containing] B 1
12431053 10.1021/jm020120c Acetylcholinesterase 1
12431053 10.1021/jm020120c Butyrylcholinesterase 1
12431053 10.1021/jm020120c Cholinesterases; ACHE & BCHE 1

Data from ChEMBL 36 via Core Engine