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Compound Detail

CHEMBL478607

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CN(Cc1ccccc1)c1cc(O)cc(OCCCCOc2cc(O)cc(N(C)Cc3ccccc3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL478607
Phase Preclinical
Structure Type MOL
InChI Key HYSRDOPZWDOTST-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

512.6
MW (Da)
6.61
ALogP
6
HBA
2
HBD
65.4
PSA (Ų)
0.20
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H36N2O4
MW 512.65
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
18585045 10.1016/j.bmc.2008.06.022 Acetylcholinesterase 2
18585045 10.1016/j.bmc.2008.06.022 Cholinesterase 1

Data from ChEMBL 36 via Core Engine