Compound Detail
CHEMBL212734
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Basic Information
| ChEMBL ID | CHEMBL212734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIVHSDFFNKQJNA-UHFFFAOYSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
4.56
ALogP
6
HBA
1
HBD
70.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 8.19 | 8.19 | 6.4 | 1 |
| L1210 CHEMBL386 | IC50 | 7.74 | 6.815 | 18.2 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.8 | 6.37 | 160.0 | 3 |
| HeLa CHEMBL399 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
| Tubulin CHEMBL2094134 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 6.42 | nM | 8.19 | Antiproliferative activity against human K562 cell line | 16789746 |
| L1210 | IC50 | = | 18.2 | nM | 7.74 | Antiproliferative activity against mouse L1210 cell line | 16789746 |
| NON-PROTEIN TARGET | IC50 | = | 160.0 | nM | 6.8 | Antiproliferative activity against human CEM/0 cells assessed as inhibition of c... | 21146985 |
| NON-PROTEIN TARGET | IC50 | = | 310.0 | nM | 6.51 | Antiproliferative activity against human Molt4/C8 cells assessed as inhibition o... | 21146985 |
| HeLa | IC50 | = | 850.0 | nM | 6.07 | Antiproliferative activity against human HeLa cells assessed as inhibition of ce... | 21146985 |
| L1210 | IC50 | = | 1300.0 | nM | 5.89 | Antiproliferative activity against mouse L1210 cells assessed as inhibition of c... | 21146985 |
| NON-PROTEIN TARGET | IC50 | = | 1600.0 | nM | 5.8 | Antiproliferative activity against mouse FM3A/0 cells assessed as inhibition of ... | 21146985 |
| Tubulin | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay | 16789746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21146985 | 10.1016/j.bmcl.2010.11.083 | NON-PROTEIN TARGET | 3 |
| 16789746 | 10.1021/jm060355e | Tubulin | 2 |
| 16789746 | 10.1021/jm060355e | L1210 | 1 |
| 16789746 | 10.1021/jm060355e | K562 | 1 |
| 21146985 | 10.1016/j.bmcl.2010.11.083 | L1210 | 1 |
| 21146985 | 10.1016/j.bmcl.2010.11.083 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine