Compound Detail
CHEMBL4552506
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Basic Information
| ChEMBL ID | CHEMBL4552506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBTDQYIKIJKOJN-HSGJQSDISA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
5.75
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.59
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CWR22R CHEMBL612657 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| LNCaP CHEMBL612518 | IC50 | 5.41 | 5.41 | 3890.0 | 1 |
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL3522 | IC50 | 4.59 | 4.59 | 25900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CWR22R | IC50 | = | 500.0 | nM | 6.3 | Antiproliferative activity against human CWR22Rv1 cells after 7 days by MTT assa... | 27437082 |
| LNCaP | IC50 | = | 3890.0 | nM | 5.41 | Antiproliferative activity against human LNCAP cells after 7 days by MTT assay | 27437082 |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 25900.0 | nM | 4.59 | Inhibition of CYP17 (unknown origin) | 27437082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27437082 | 10.1021/acsmedchemlett.6b00137 | Androgen receptor | 1 |
| 27437082 | 10.1021/acsmedchemlett.6b00137 | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 27437082 | 10.1021/acsmedchemlett.6b00137 | LNCaP | 1 |
| 27437082 | 10.1021/acsmedchemlett.6b00137 | CWR22R | 1 |
Data from ChEMBL 36 via Core Engine