Compound Detail
CHEMBL3960705
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Basic Information
| ChEMBL ID | CHEMBL3960705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSYKRPNMJAQEEU-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
3.00
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.08
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 83800.0 | nM | 4.08 | Antitumor activity against mouse P388 cells incubated for 72 hrs by MTT assay | 29198863 |
| KB | IC50 | = | 86600.0 | nM | 4.06 | Antitumor activity against human KB cells incubated for 72 hrs by MTT assay | 29198863 |
| B16-F10 | IC50 | = | 88500.0 | nM | 4.05 | Antitumor activity against mouse B16F10 cells incubated for 72 hrs by MTT assay | 29198863 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27404558 | 10.1016/j.ejmech.2016.06.057 | NON-PROTEIN TARGET | 1 |
| 29198863 | 10.1016/j.bmcl.2017.11.038 | B16-F10 | 1 |
| 29198863 | 10.1016/j.bmcl.2017.11.038 | P388 | 1 |
| 29198863 | 10.1016/j.bmcl.2017.11.038 | HL-60 | 1 |
| 29198863 | 10.1016/j.bmcl.2017.11.038 | KB | 1 |
| 29198863 | 10.1016/j.bmcl.2017.11.038 | HT-1080 | 1 |
| 29198863 | 10.1016/j.bmcl.2017.11.038 | MCF7 | 1 |
| 29198863 | 10.1016/j.bmcl.2017.11.038 | DLD-1 | 1 |
| 29198863 | 10.1016/j.bmcl.2017.11.038 | NUGC-3 | 1 |
| 29198863 | 10.1016/j.bmcl.2017.11.038 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine