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Compound Detail

CHEMBL5412852

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CCCCNC(=O)Oc1ccc2c(c1)N(Cc1ccccc1)/C(=C/C(C)=O)S2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5412852
Phase Preclinical
Structure Type MOL
InChI Key XNGGSBQUPQTKHN-BKUYFWCQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
5.12
ALogP
5
HBA
1
HBD
58.6
PSA (Ų)
0.52
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N2O3S
MW 396.51
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
38516603 10.1039/d3md00708a Cholinesterase 2

Data from ChEMBL 36 via Core Engine