Compound Detail
CHEMBL100668
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Basic Information
| ChEMBL ID | CHEMBL100668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRVAEILJMOFLGB-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
2.00
ALogP
5
HBA
4
HBD
107.5
PSA (Ų)
0.25
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MM96L CHEMBL614170 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MM96L | IC50 | = | 21000.0 | nM | 4.68 | Cytotoxicity against human melanoma MM96L cell line | 15163181 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163181 | 10.1021/jm030222i | No relevant target | 1 |
| 15163181 | 10.1021/jm030222i | NFF | 1 |
| 15163181 | 10.1021/jm030222i | MM96L | 1 |
Data from ChEMBL 36 via Core Engine