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Compound Detail

CHEMBL514870

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CN(C)c1cc(O)cc(OCCCCOc2cc(O)cc(N(C)Cc3ccccc3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL514870
Phase Preclinical
Structure Type MOL
InChI Key KFYQCQOUSPMHHV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

436.6
MW (Da)
5.04
ALogP
6
HBA
2
HBD
65.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32N2O4
MW 436.55
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
18585045 10.1016/j.bmc.2008.06.022 Cholinesterase 1
18585045 10.1016/j.bmc.2008.06.022 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine