Compound Detail
CHEMBL171056
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Basic Information
| ChEMBL ID | CHEMBL171056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKKALIFADANDMP-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
1.81
ALogP
7
HBA
1
HBD
78.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.38
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAC15A | IC50 | = | 420.0 | nM | 6.38 | Compound was evaluated for cytotoxicity against Mac15A cell lines. | - |
| A2780 | IC50 | = | 740.0 | nM | 6.13 | Compound was evaluated for cytotoxicity against A2780 cell lines. | - |
| A2780 | IC50 | = | 1800.0 | nM | 5.75 | Compound was evaluated for cytotoxicity against A2780 cis cell lines. | - |
| A2780 | IC50 | = | 1800.0 | nM | 5.75 | Relative resistance factor in A2780 cisplatin-resistant line | - |
| SK-OV-3 | IC50 | = | 13500.0 | nM | 4.87 | Compound was evaluated for cytotoxicity against SCOV-3 cell lines. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00130-8 | A2780 | 3 |
| - | 10.1016/0960-894X(96)00130-8 | ADMET | 2 |
| - | 10.1016/0960-894X(96)00130-8 | MOLT-4 | 1 |
| - | 10.1016/0960-894X(96)00130-8 | WEHI | 1 |
| - | 10.1016/0960-894X(96)00130-8 | HOP-92 | 1 |
| - | 10.1016/0960-894X(96)00130-8 | SK-OV-3 | 1 |
| - | 10.1016/0960-894X(96)00130-8 | MCF7 | 1 |
| - | 10.1016/0960-894X(96)00130-8 | SW-620 | 1 |
| - | 10.1016/0960-894X(96)00130-8 | MAC15A | 1 |
Data from ChEMBL 36 via Core Engine