Compound Detail
CHEMBL2088284
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Basic Information
| ChEMBL ID | CHEMBL2088284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQGMNMUVLYPHNX-SNAWJCMRSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
238.0
MW (Da)
1.99
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.3
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LNCaP | IC50 | = | 5000.0 | nM | 5.3 | Antineoplastic activity against human LNCAP cells after 48 hrs by MTT assay | 22677312 |
| LNCaP | IC50 | = | 7000.0 | nM | 5.16 | Antineoplastic activity against human LNCAP cells after 72 hrs by MTT assay | 22677312 |
| LNCaP | IC50 | = | 9000.0 | nM | 5.05 | Antineoplastic activity against human LNCAP cells after 24 hrs by MTT assay | 22677312 |
| PC-3 | IC50 | = | 15000.0 | nM | 4.82 | Antineoplastic activity against human PC3 cells after 48 hrs by MTT assay | 22677312 |
| PC-3 | IC50 | = | 16000.0 | nM | 4.8 | Antineoplastic activity against human PC3 cells after 72 hrs by MTT assay | 22677312 |
| PC-3 | IC50 | = | 32000.0 | nM | 4.5 | Antineoplastic activity against human PC3 cells after 24 hrs by MTT assay | 22677312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22677312 | 10.1016/j.bmcl.2012.05.038 | LNCaP | 3 |
| 22677312 | 10.1016/j.bmcl.2012.05.038 | PC-3 | 3 |
Data from ChEMBL 36 via Core Engine