Compound Detail
CHEMBL102109
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
O=C(CCCSC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1)NO
Basic Information
| ChEMBL ID | CHEMBL102109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMOQIDAZZUVSFJ-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
1.96
ALogP
7
HBA
4
HBD
150.7
PSA (Ų)
0.15
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MM96L CHEMBL614170 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MM96L | IC50 | = | 12000.0 | nM | 4.92 | 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