Compound Detail
CHEMBL459038
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Basic Information
| ChEMBL ID | CHEMBL459038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSBFMVGICIETEJ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
363.6
MW (Da)
4.45
ALogP
3
HBA
3
HBD
36.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.99
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 1020.0 | nM | 5.99 | Cytotoxicity against mouse B16 cells after 48 hrs by MTT assay in presence of DF... | 18539036 |
| B16 | IC50 | = | 5430.0 | nM | 5.26 | Cytotoxicity against mouse B16 cells after 48 hrs by MTT assay | 18539036 |
| L1210 | IC50 | = | 6600.0 | nM | 5.18 | Cytotoxicity against mouse L1210 cells after 48 hrs by MTT assay | 18539036 |
| B16 | IC50 | = | 8850.0 | nM | 5.05 | Cytotoxicity against mouse B16 cells after 48 hrs by MTT assay in presence of SP... | 18539036 |
| HeLa | IC50 | = | 11710.0 | nM | 4.93 | Cytotoxicity against human HeLa cells after 48 hrs by MTT assay | 18539036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18539036 | 10.1016/j.bmc.2008.05.035 | B16 | 5 |
| 18539036 | 10.1016/j.bmc.2008.05.035 | HeLa | 1 |
| 18539036 | 10.1016/j.bmc.2008.05.035 | L1210 | 1 |
| 18539036 | 10.1016/j.bmc.2008.05.035 | Ornithine decarboxylase | 1 |
Data from ChEMBL 36 via Core Engine