Compound Detail
CHEMBL91130
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 | CHEMBL91130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLDVEPIZIKRKPK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
4.64
ALogP
4
HBA
0
HBD
80.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DU-145 CHEMBL613508 | IC50 | 4.82 | 4.82 | 15030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DU-145 | IC50 | = | 15030.0 | nM | 4.82 | Antiproliferative activity against human DU145 cells assessed as growth inhibiti... | 24169233 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15603947 | 10.1016/j.bmcl.2004.10.072 | HL-60 | 3 |
| 16183272 | 10.1016/j.bmcl.2005.08.086 | HUVEC | 3 |
| 10098663 | 10.1016/s0960-894x(99)00034-7 | Dipeptidyl peptidase 4 | 2 |
| 10098663 | 10.1016/s0960-894x(99)00034-7 | NON-PROTEIN TARGET | 2 |
| 9288167 | 10.1021/jm970109q | HL-60 | 2 |
| 10098663 | 10.1016/s0960-894x(99)00034-7 | Aminopeptidase N | 1 |
| 9288167 | 10.1021/jm970109q | WI-38 | 1 |
| 9464355 | 10.1021/jm970624o | Aminopeptidase N | 1 |
| 15603947 | 10.1016/j.bmcl.2004.10.072 | Sus scrofa | 1 |
| 17845850 | 10.1016/j.bmcl.2007.01.088 | Unchecked | 1 |
| 24169233 | 10.1016/j.bmcl.2013.09.084 | MDA-MB-231 | 1 |
| 24169233 | 10.1016/j.bmcl.2013.09.084 | DU-145 | 1 |
| 24169233 | 10.1016/j.bmcl.2013.09.084 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine