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Compound Detail

CHEMBL1834157

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c1ccc(-c2ccc(SC3CCCc4ccccc43)nn2)nc1

Basic Information

ChEMBL ID CHEMBL1834157
Phase Preclinical
Structure Type MOL
InChI Key BVNWEMBLNBBWQD-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
4.71
ALogP
4
HBA
0
HBD
38.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3S
MW 319.43
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.08

Activity Summary

EC50 2 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Astrocyte
CHEMBL614871
EC50 5.77 5.745 1700.0 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