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Compound Detail

CHEMBL4583406

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COc1ccc(-c2coc3cc(OCCN)ccc3c2=O)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4583406
Phase Preclinical
Structure Type MOL
InChI Key OVCAPMSEMYETAK-UHFFFAOYSA-N
Parent Compound CHEMBL4595526
Active Moiety CHEMBL4595526
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
2.81
ALogP
5
HBA
1
HBD
74.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18ClNO4
MW 347.80
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 0.30

Literature References

PubMed DOI Target Context # Activities
30822710 10.1016/j.ejmech.2019.02.053 Acetylcholinesterase 2
30822710 10.1016/j.ejmech.2019.02.053 Histamine H3 receptor 2
30822710 10.1016/j.ejmech.2019.02.053 Cholinesterase 2
30822710 10.1016/j.ejmech.2019.02.053 No relevant target 1

Data from ChEMBL 36 via Core Engine