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

CHEMBL242112

SALICYLALDEHYDE THIOSEMICARBAZONE
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
NC(=S)N/N=C/c1ccccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL242112
Name SALICYLALDEHYDE THIOSEMICARBAZONE
Phase Preclinical
Structure Type MOL
InChI Key OHNSRYBTSVDDKA-BJMVGYQFSA-N
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

195.2
MW (Da)
0.56
ALogP
3
HBA
3
HBD
70.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H9N3OS
MW 195.25
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.63

Activity Summary

IC50 4 meas. best 6.42
EC50 1 meas. best 4.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosinase
CHEMBL3318
 IC50 6.42 6.42 380.0 1
Unchecked
CHEMBL612545
 IC50 5.66 5.66 2200.0 1
B16
CHEMBL381
 IC50 4.68 4.68 21000.0 1
Trypanosoma brucei
CHEMBL612849
 EC50 4.5 4.5 31500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosinase IC50 = 380.0 nM 6.42 Inhibition of mushroom tyrosinase using L-dopa as substrate preincubated for 10 ... 31015905
Unchecked IC50 = 2200.0 nM 5.66 Inhibition of pieris rapae Phenoloxidase 17258462
B16 IC50 = 21000.0 nM 4.68 Inhibition of melanogenesis in mouse B16 cells 20863702
Trypanosoma brucei EC50 = 31500.0 nM 4.5 Antitrypanosomal activity against Trypanosoma brucei Lister 427 bloodstream form... 29407968

Literature References

PubMed DOI Target Context # Activities
29407968 10.1016/j.ejmech.2018.01.043 Trypanosoma brucei 5
20863702 10.1016/j.bmcl.2010.08.114 B16 2
17258462 10.1016/j.bmc.2006.12.038 Unchecked 2
29407968 10.1016/j.ejmech.2018.01.043 Trypanosoma cruzi 1
31015905 10.1039/C9MD00005D Tyrosinase 1
29407968 10.1016/j.ejmech.2018.01.043 A549 1
29407968 10.1016/j.ejmech.2018.01.043 Aurora kinase B 1
29407968 10.1016/j.ejmech.2018.01.043 Cytochrome P450 3A4 1
29407968 10.1016/j.ejmech.2018.01.043 Cytochrome P450 2D6 1
29407968 10.1016/j.ejmech.2018.01.043 Cytochrome P450 2C19 1
29407968 10.1016/j.ejmech.2018.01.043 Cytochrome P450 2C9 1
29407968 10.1016/j.ejmech.2018.01.043 Cytochrome P450 1A2 1
29407968 10.1016/j.ejmech.2018.01.043 Voltage-gated inwardly rectifying potassium channel KCNH2 1
29407968 10.1016/j.ejmech.2018.01.043 Leishmania infantum 1
18358728 10.1016/j.bmc.2008.03.006 DNA 1
18358728 10.1016/j.bmc.2008.03.006 SW-620 1
18358728 10.1016/j.bmc.2008.03.006 HEp-2 1
18358728 10.1016/j.bmc.2008.03.006 WI-38 1
18358728 10.1016/j.bmc.2008.03.006 MCF7 1
18358728 10.1016/j.bmc.2008.03.006 HeLa 1

Data from ChEMBL 36 via Core Engine