Compound Detail
CHEMBL414226
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
Basic Information
| ChEMBL ID | CHEMBL414226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRHGHVHLMRVQNC-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
2.03
ALogP
7
HBA
4
HBD
150.7
PSA (Ų)
0.16
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MM96L CHEMBL614170 | IC50 | 4.97 | 4.97 | 10600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MM96L | IC50 | = | 10600.0 | nM | 4.97 | 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