Compound Detail
CHEMBL1210878
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Basic Information
| ChEMBL ID | CHEMBL1210878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCIZKKFUFJLBFS-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
397.3
MW (Da)
5.84
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.14 | 5.6567 | 730.0 | 3 |
| K562 CHEMBL385 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 730.0 | nM | 6.14 | Inhibition of full length AR transcriptional activity in human LNCAP cells harbo... | 30193215 |
| Androgen receptor | IC50 | = | 1480.0 | nM | 5.83 | Inhibition of R1881-induced full length AR transcriptional activity in human LNC... | 30193215 |
| K562 | IC50 | = | 5000.0 | nM | 5.3 | Antiproliferative activity against human K562 cells after 48 hrs | 20537765 |
| Androgen receptor | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of R1881-induced transcriptional activity of human AR V7 truncated mu... | 30193215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30193215 | 10.1016/j.ejmech.2018.08.059 | Androgen receptor | 8 |
| 20537765 | 10.1016/j.ejmech.2010.04.032 | K562 | 1 |
| 20537765 | 10.1016/j.ejmech.2010.04.032 | Tubulin | 1 |
| 30193215 | 10.1016/j.ejmech.2018.08.059 | CWR22R | 1 |
| 30193215 | 10.1016/j.ejmech.2018.08.059 | LNCaP | 1 |
Data from ChEMBL 36 via Core Engine