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Compound Detail

CHEMBL1834133

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Cc1ccc(CSc2ccc(-c3ccccn3)nn2)c(C)c1

Basic Information

ChEMBL ID CHEMBL1834133
Phase Preclinical
Structure Type MOL
InChI Key XHGZUFPZSVWSDQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
4.45
ALogP
4
HBA
0
HBD
38.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3S
MW 307.42
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.82

Activity Summary

EC50 2 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Astrocyte
CHEMBL614871
EC50 5.75 5.66 1800.0 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 9

Data from ChEMBL 36 via Core Engine