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Compound Detail

CHEMBL550989

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CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)OCCC3.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL550989
Phase Preclinical
Structure Type MOL
InChI Key HEHIGVHKQZLNMW-UHFFFAOYSA-N
Parent Compound CHEMBL1194313
Active Moiety CHEMBL1194313
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

367.8
MW (Da)
5.06
ALogP
4
HBA
0
HBD
48.4
PSA (Ų)
0.61
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19Cl2NO3
MW 404.29
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
19663388 10.1021/jm900859q Acetylcholinesterase 2
19663388 10.1021/jm900859q Cholinesterase 1
19663388 10.1021/jm900859q Cholinesterases; ACHE & BCHE 1

Data from ChEMBL 36 via Core Engine