Compound Detail
CHEMBL107057
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Basic Information
| ChEMBL ID | CHEMBL107057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNJMFJSKMRYHSR-UHFFFAOYSA-N |
3
Targets
7
Activities
3
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
198.2
MW (Da)
3.05
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.2
Kd 3 meas. best 2.6
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 4.2 | 4.2 | 63240.0 | 1 |
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 4.2 | 4.2 | 63240.0 | 1 |
| Human papillomavirus CHEMBL612319 | Kd | 2.6 | 2.6 | 2500000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mushroom tyrosinase | IC50 | = | 63240.0 | nM | 4.2 | Inhibition of mushroom tyrosinase using L-tyrosinase as substrate measured at 60... | 28495084 |
| Tyrosinase | IC50 | = | 63240.0 | nM | 4.2 | Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as sub... | 27507110 |
| Human papillomavirus | Kd | = | 2500000.0 | nM | 2.6 | Dissociation constant against DNA-binding domain of the human papillomavirus pro... | 15214773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27507110 | 10.1016/j.bmc.2016.07.060 | Tyrosinase | 4 |
| 14711308 | 10.1021/jm030347n | Transthyretin | 3 |
| 28625364 | 10.1016/j.bmcl.2017.05.080 | Transthyretin | 2 |
| 17544548 | 10.1016/j.ejmech.2007.04.002 | ADMET | 1 |
| 31531208 | 10.1021/acsmedchemlett.9b00306 | Retinoic acid receptor RXR-gamma | 1 |
| 31531208 | 10.1021/acsmedchemlett.9b00306 | Retinoic acid receptor RXR-beta | 1 |
| 31531208 | 10.1021/acsmedchemlett.9b00306 | Retinoic acid receptor RXR-alpha | 1 |
| 28495084 | 10.1016/j.bmcl.2017.04.074 | Mushroom tyrosinase | 1 |
| 10417314 | 10.1042/0264-6021:3410529 | Monocarboxylate transporter 1 | 1 |
| 10417314 | 10.1042/0264-6021:3410529 | Monocarboxylate transporter 2 | 1 |
| 15214773 | 10.1021/jm040031v | Human papillomavirus | 1 |
| 15801837 | 10.1021/jm049227l | Albumin | 1 |
| 9379433 | 10.1021/jm9703404 | Nucleic Acid | 1 |
| 9379433 | 10.1021/jm9703404 | Regulatory protein E2 | 1 |
| 10978192 | 10.1021/jm000164q | Vascular endothelial growth factor A, long form | 1 |
| 10978192 | 10.1021/jm000164q | Unchecked | 1 |
| 10978192 | 10.1021/jm000164q | Human papillomavirus | 1 |
Data from ChEMBL 36 via Core Engine