Compound Detail
CHEMBL283977
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL283977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLQILZYRKRCNSV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.16
ALogP
6
HBA
2
HBD
110.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-3 CHEMBL390 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.21 | 4.21 | 62000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of human prostate cancer cell line PC-3 growth | 11965367 |
| MDA-MB-231 | IC50 | = | 62000.0 | nM | 4.21 | Inhibition of human breast cancer cell line MDA-MB-231 growth | 11965367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11965367 | 10.1016/s0960-894x(02)00156-7 | MDA-MB-231 | 1 |
| 11965367 | 10.1016/s0960-894x(02)00156-7 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine