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Compound Detail

CHEMBL2018202

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COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cc4c5c(cccc5c3)C(=O)N4)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2018202
Phase Preclinical
Structure Type MOL
InChI Key PFQWPYLCGOVMPS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

473.5
MW (Da)
4.47
ALogP
5
HBA
3
HBD
113.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19N3O5S
MW 473.51
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.11

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