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Compound Detail

CHEMBL244624

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CN(Cc1ccccc1)Cc1ccc(-c2cc3cc(N)ccc3oc2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL244624
Phase Preclinical
Structure Type MOL
InChI Key WWWLNIZLSIHRAE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
4.67
ALogP
4
HBA
1
HBD
59.5
PSA (Ų)
0.41
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 C24H22N2O2
MW 370.45
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.61

Activity Summary

IC50 1 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetylcholinesterase
CHEMBL220
 IC50 6.55 6.55 281.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acetylcholinesterase IC50 = 281.0 nM 6.55 Inhibition of human recombinant AChE 17655212

Literature References

PubMed DOI Target Context # Activities
17655212 10.1021/jm070100g Acetylcholinesterase 2
17655212 10.1021/jm070100g Cholinesterase 1

Data from ChEMBL 36 via Core Engine