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Compound Detail

CHEMBL363323

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C/C(=N/O)c1ccc(Cl)c(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL363323
Phase Preclinical
Structure Type MOL
InChI Key VKJNTWUNVOZAFH-RMORIDSASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.2
MW (Da)
5.41
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15Cl2N3O3
MW 404.25
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.80

Activity Summary

IC50 1 meas. best 5.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.17 5.17 6700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 6700.0 nM 5.17 Inhibitory activity towards acetylcholine esterase (AChE) 15369385

Literature References

PubMed DOI Target Context # Activities
15369385 10.1021/jm030605g Unchecked 1

Data from ChEMBL 36 via Core Engine