Compound Detail
CHEMBL289686
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Basic Information
| ChEMBL ID | CHEMBL289686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNUFQAYMLAQRQN-IAGOWNOFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
2.19
ALogP
7
HBA
3
HBD
97.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 19000.0 | nM | 4.72 | Concentration required for 50% inhibition of P388 murine leukemia cell growth in... | 11140732 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10212132 | 10.1021/jm9807149 | SK-N-SH | 1 |
| 10924176 | 10.1021/np0000623 | Streptococcus pneumoniae | 1 |
| 10924176 | 10.1021/np0000623 | Unchecked | 1 |
| 10924176 | 10.1021/np0000623 | FaDu | 1 |
| 10924176 | 10.1021/np0000623 | P388 | 1 |
| 17889536 | 10.1016/j.bmcl.2007.08.075 | Tubulin | 1 |
| 11140732 | 10.1016/s0960-894x(00)00596-5 | P388 | 1 |
| 10212132 | 10.1021/jm9807149 | DU-145 | 1 |
| 10212132 | 10.1021/jm9807149 | SW-1736 | 1 |
| 10212132 | 10.1021/jm9807149 | P388 | 1 |
| 10212132 | 10.1021/jm9807149 | FaDu | 1 |
| 10212132 | 10.1021/jm9807149 | BXPC-3 | 1 |
| 10212132 | 10.1021/jm9807149 | SK-MEL-5 | 1 |
| 10212132 | 10.1021/jm9807149 | KM-20L2 | 1 |
| 10212132 | 10.1021/jm9807149 | NCI-H460 | 1 |
| 10212132 | 10.1021/jm9807149 | A498 | 1 |
| 10212132 | 10.1021/jm9807149 | SF-295 | 1 |
| 10212132 | 10.1021/jm9807149 | OVCAR-3 | 1 |
Data from ChEMBL 36 via Core Engine