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Compound Detail

CHEMBL2018203

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COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2018203
Phase Preclinical
Structure Type MOL
InChI Key KCWGLHKLWQNVCR-JFLMPSFJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

519.6
MW (Da)
3.91
ALogP
10
HBA
2
HBD
120.1
PSA (Ų)
0.18
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25N5O5S
MW 519.58
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.65

Literature References

PubMed DOI Target Context # Activities
22472693 10.1016/j.bmcl.2012.03.046 Acetylcholinesterase 1
22472693 10.1016/j.bmcl.2012.03.046 No relevant target 1

Data from ChEMBL 36 via Core Engine