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Compound Detail

CHEMBL5195794

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O=C1N(CCCCCCCCN2C(=O)C(O)(c3c[nH]c4ccccc34)c3ccccc32)c2ccccc2C1(O)c1c[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5195794
Phase Preclinical
Structure Type MOL
InChI Key YUSHSLDNCORFMM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

638.8
MW (Da)
6.86
ALogP
4
HBA
4
HBD
112.7
PSA (Ų)
0.12
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H38N4O4
MW 638.77
Aromatic Rings 6
Heavy Atoms 48
NP-Likeness -0.07

Literature References

PubMed DOI Target Context # Activities
36307033 10.1016/j.bmcl.2022.129037 Acetylcholinesterase 1
36307033 10.1016/j.bmcl.2022.129037 Cholinesterase 1

Data from ChEMBL 36 via Core Engine