Compound Detail
CHEMBL9167
ANASTATIN A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL9167 |
| Name | ANASTATIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBSPNTHFWOUQFX-HNNXBMFYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
378.3
MW (Da)
4.11
ALogP
7
HBA
4
HBD
120.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of theophylline-stimulated melanogenesis in mouse B16-4A5 cells after... | 20189399 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20189399 | 10.1016/j.bmc.2010.01.046 | Tyrosinase | 6 |
| 20189399 | 10.1016/j.bmc.2010.01.046 | Unchecked | 5 |
| 12643908 | 10.1016/s0960-894x(03)00088-x | Mus musculus | 4 |
| 20189399 | 10.1016/j.bmc.2010.01.046 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine