Compound Detail
CHEMBL2163634
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Basic Information
| ChEMBL ID | CHEMBL2163634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPRWOJPWYGARRC-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
4.08
ALogP
6
HBA
1
HBD
86.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LNCaP CHEMBL612518 | IC50 | 7.85 | 7.85 | 14.1 | 1 |
| PC-3 CHEMBL390 | IC50 | 7.48 | 7.48 | 33.3 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.37 | 7.25 | 42.8 | 2 |
| DU-145 CHEMBL613508 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| A-375 CHEMBL613859 | IC50 | 7.27 | 7.27 | 53.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LNCaP | IC50 | = | 14.1 | nM | 7.85 | Antiproliferative activity against human LNCAP cells after 48 hrs by SRB assay | 22783954 |
| PC-3 | IC50 | = | 33.3 | nM | 7.48 | Antiproliferative activity against human PC3 cells after 48 hrs by SRB assay | 22783954 |
| NON-PROTEIN TARGET | IC50 | = | 42.8 | nM | 7.37 | Antiproliferative activity against human paclitaxel-resistant PC3-TxR cells afte... | 22783954 |
| DU-145 | IC50 | = | 45.0 | nM | 7.35 | Antiproliferative activity against human DU145 cells after 48 hrs by SRB assay | 22783954 |
| A-375 | IC50 | = | 53.4 | nM | 7.27 | Antiproliferative activity against human A375 cells after 48 hrs by SRB assay | 22783954 |
| NON-PROTEIN TARGET | IC50 | = | 73.6 | nM | 7.13 | Antiproliferative activity against human WM164 cells after 48 hrs by SRB assay | 22783954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22783954 | 10.1021/jm300564b | Unchecked | 3 |
| 22783954 | 10.1021/jm300564b | PC-3 | 2 |
| 22783954 | 10.1021/jm300564b | NON-PROTEIN TARGET | 2 |
| 22783954 | 10.1021/jm300564b | DU-145 | 1 |
| 22783954 | 10.1021/jm300564b | LNCaP | 1 |
| 22783954 | 10.1021/jm300564b | A-375 | 1 |
Data from ChEMBL 36 via Core Engine