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Compound Detail

CHEMBL5178427

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C(=C\c1cccs1)\c1cn(CCc2cc3ccccc3[nH]2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5178427
Phase Preclinical
Structure Type MOL
InChI Key BZUNDWZFMWMFKI-FPLPWBNLSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
4.23
ALogP
4
HBA
1
HBD
46.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4S
MW 320.42
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.95

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
35870364 10.1016/j.ejmech.2022.114616 Unchecked 2
35870364 10.1016/j.ejmech.2022.114616 Cholinesterase 2
35870364 10.1016/j.ejmech.2022.114616 Acetylcholinesterase 2

Data from ChEMBL 36 via Core Engine