Compound Detail
CHEMBL74689
PHENYL(METHYL)THIOSEMICARBAZONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL74689 |
| Name | PHENYL(METHYL)THIOSEMICARBAZONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMULZUQMMLAALR-YRNVUSSQSA-N |
4
Targets
5
Activities
3
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
193.3
MW (Da)
1.66
ALogP
2
HBA
2
HBD
50.7
PSA (Ų)
0.32
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
Kd 1 meas. best 5.48
Ki 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | Ki | 6.42 | 6.42 | 380.0 | 1 |
| Tyrosinase CHEMBL5346 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| B16 CHEMBL381 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| N6-adenosine-methyltransferase catalytic subunit CHEMBL4739695 | Kd | 5.48 | 5.48 | 3310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | Ki | = | 380.0 | nM | 6.42 | Reversible competitive inhibition of mushroom tyrosinase after 10 mins by Linewe... | 31015905 |
| Tyrosinase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of tyrosinase in mouse B16 cells using L-DOPA as substrate preincubat... | 31015905 |
| B16 | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of alpha-MSH-induced melanin production in mouse B16 cells after 3 da... | 21601449 |
| N6-adenosine-methyltransferase catalytic subunit | Kd | = | 3310.0 | nM | 5.48 | Binding affinity to METTL3 (unknown origin) assessed as dissociation constant | 39150226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31015905 | 10.1039/C9MD00005D | Tyrosinase | 4 |
| 8360870 | 10.1021/jm00068a001 | Rattus norvegicus | 2 |
| 21601449 | 10.1016/j.bmcl.2011.04.146 | B16 | 2 |
| 8360870 | 10.1021/jm00068a001 | Unchecked | 1 |
| 23851115 | 10.1016/j.ejmech.2013.04.022 | Cruzipain | 1 |
| 23851115 | 10.1016/j.ejmech.2013.04.022 | Trypanosoma cruzi | 1 |
| 39150226 | 10.1021/acs.jmedchem.4c01247 | N6-adenosine-methyltransferase catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine