Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL113414

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Sc1nc2ccccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL113414
Phase Preclinical
Structure Type MOL
InChI Key FLFWJIBUZQARMD-UHFFFAOYSA-N
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
18
Publications
0
Known Names

Molecular Properties

151.2
MW (Da)
2.12
ALogP
3
HBA
1
HBD
26.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H5NOS
MW 151.19
Aromatic Rings 2
Heavy Atoms 10
NP-Likeness -1.14

Activity Summary

IC50 4 meas. best 7.1
Ki 1 meas. best 7.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mushroom tyrosinase
CHEMBL6066154
 Ki 7.24 7.24 58.0 1
Mushroom tyrosinase
CHEMBL6066154
 IC50 7.1 6.86 80.0 2
Proteasome subunit beta type-8
CHEMBL5620
 IC50 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mushroom tyrosinase Ki = 58.0 nM 7.24 Binding affinity to mushroom tyrosinase using L-DOPA as substrate assessed as in... 39002182
Mushroom tyrosinase IC50 = 80.0 nM 7.1 Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 30 min... 39002182
Mushroom tyrosinase IC50 = 240.0 nM 6.62 Inhibition of mushroom tyrosinase using L-tyrosine as substrate incubated for 30... 39002182
Proteasome subunit beta type-8 IC50 = 17000.0 nM 4.77 Inhibition of human chymotrypsin-like beta 5i subunit of iCP using suc-LLVY-AMC ... 33894528

Literature References

PubMed DOI Target Context # Activities
21803461 10.1016/j.ejmech.2011.07.014 Hyaluronidase 16
39002182 10.1016/j.bmc.2024.117832 Mushroom tyrosinase 7
12392731 10.1016/s0960-894x(02)00697-2 Mycobacterium kansasii 6
18694614 10.1016/j.ejmech.2008.06.027 Mycobacterium kansasii 6
39002182 10.1016/j.bmc.2024.117832 No relevant target 2
12392731 10.1016/s0960-894x(02)00697-2 Mycobacterium tuberculosis 2
39002182 10.1016/j.bmc.2024.117832 B16-F10 2
21803461 10.1016/j.ejmech.2011.07.014 Unchecked 2
18694614 10.1016/j.ejmech.2008.06.027 Mycobacterium tuberculosis 2
18694614 10.1016/j.ejmech.2008.06.027 Mycobacterium avium 2
12392731 10.1016/s0960-894x(02)00697-2 Mycobacterium avium 2
21803461 10.1016/j.ejmech.2011.07.014 No relevant target 1
32690262 10.1016/j.bmc.2020.115607 Histone deacetylase 8 1
33894528 10.1016/j.ejmech.2021.113455 Proteasome subunit beta type-8 1
33894528 10.1016/j.ejmech.2021.113455 ADMET 1
33894528 10.1016/j.ejmech.2021.113455 Proteasome Macropain subunit MB1 1
33894528 10.1016/j.ejmech.2021.113455 No relevant target 1
39002182 10.1016/j.bmc.2024.117832 HaCaT 1

Data from ChEMBL 36 via Core Engine