Compound Detail
CHEMBL289615
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Basic Information
| ChEMBL ID | CHEMBL289615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVIJVBNFGZGKGH-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
2.63
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.7
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-MEL-2 | IC50 | = | 2.0 | nM | 8.7 | In vitro cytotoxic activity against human melanoma SK-MEL-2 cell line | - |
| A549 | IC50 | = | 910.0 | nM | 6.04 | In vitro cytotoxic activity against human lung carcinoma A549 cell line | - |
| A549 | IC50 | = | 4740.0 | nM | 5.32 | Cytotoxicity against human lung carcinoma A549 cell line using MTT assay | 9873387 |
| SK-OV-3 | IC50 | = | 12130.0 | nM | 4.92 | Cytotoxicity against human ovarian adenocarcinoma (SK-OV-3) cell line using MTT ... | 9873387 |
| K562 | IC50 | = | 42660.0 | nM | 4.37 | Cytotoxicity against human chronic myelogenous leukemia (K562) cell line using M... | 9873387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873387 | 10.1016/s0960-894x(98)00261-3 | A549 | 1 |
| 9873387 | 10.1016/s0960-894x(98)00261-3 | K562 | 1 |
| 9873387 | 10.1016/s0960-894x(98)00261-3 | SK-OV-3 | 1 |
| - | 10.1016/0960-894X(96)00463-5 | A549 | 1 |
| - | 10.1016/0960-894X(96)00463-5 | SK-MEL-2 | 1 |
Data from ChEMBL 36 via Core Engine