Compound Detail
CHEMBL2088291
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Basic Information
| ChEMBL ID | CHEMBL2088291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTTCWDFAEMSNJG-YTBHAWNYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
358.2
MW (Da)
4.02
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.0
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | IC50 | = | 1000.0 | nM | 6.0 | Antineoplastic activity against human PC3 cells after 48 hrs by MTT assay | 22677312 |
| LNCaP | IC50 | = | 3000.0 | nM | 5.52 | Antineoplastic activity against human LNCAP cells after 24 hrs by MTT assay | 22677312 |
| LNCaP | IC50 | = | 3000.0 | nM | 5.52 | Antineoplastic activity against human LNCAP cells after 72 hrs by MTT assay | 22677312 |
| LNCaP | IC50 | = | 4000.0 | nM | 5.4 | Antineoplastic activity against human LNCAP cells after 48 hrs by MTT assay | 22677312 |
| PC-3 | IC50 | = | 4000.0 | nM | 5.4 | Antineoplastic activity against human PC3 cells after 24 hrs by MTT assay | 22677312 |
| PC-3 | IC50 | = | 4000.0 | nM | 5.4 | Antineoplastic activity against human PC3 cells after 72 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