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Compound Detail

CHEMBL2337275

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Oc1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)s2)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2337275
Phase Preclinical
Structure Type MOL
InChI Key NXJATMASDMKVEZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

339.2
MW (Da)
4.59
ALogP
5
HBA
2
HBD
66.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H8Cl2N2O2S
MW 339.20
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.67

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23376249 10.1016/j.ejmech.2012.12.060 Unchecked 1
23376249 10.1016/j.ejmech.2012.12.060 Cholinesterase 1
23376249 10.1016/j.ejmech.2012.12.060 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine