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Compound Detail

CHEMBL1834155

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Clc1ccccc1CCSc1ccc(-c2ccccn2)nn1

Basic Information

ChEMBL ID CHEMBL1834155
Phase Preclinical
Structure Type MOL
InChI Key CCYTYNWZMMPEPH-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.8
MW (Da)
4.53
ALogP
4
HBA
0
HBD
38.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14ClN3S
MW 327.84
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.86

Activity Summary

EC50 2 meas. best 5.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Astrocyte
CHEMBL614871
EC50 5.33 5.31 4700.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21875806 10.1016/j.bmcl.2011.08.009 Astrocyte 8

Data from ChEMBL 36 via Core Engine