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Compound Detail

CHEMBL1089499

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c1csc(-c2ccc(-c3nc4ccccc4s3)s2)c1

Basic Information

ChEMBL ID CHEMBL1089499
Phase Preclinical
Structure Type MOL
InChI Key RXYVQASOTAKQRQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
5.75
ALogP
4
HBA
0
HBD
12.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9NS3
MW 299.44
Aromatic Rings 4
Heavy Atoms 19
NP-Likeness -1.82

Activity Summary

Ki 2 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 8.4 8.365 3.9 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20211565 10.1016/j.bmc.2010.02.002 Unchecked 3

Data from ChEMBL 36 via Core Engine