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Compound Detail

CHEMBL4476554

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COc1ccc(-c2coc3cc(OCCN4C(=O)c5ccccc5C4=O)ccc3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4476554
Phase Preclinical
Structure Type MOL
InChI Key KHKJAKSQYBCLMQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

441.4
MW (Da)
4.14
ALogP
6
HBA
0
HBD
86.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H19NO6
MW 441.44
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.35

Literature References

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

Data from ChEMBL 36 via Core Engine