Compound Detail
CHEMBL350488
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 | CHEMBL350488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZGOKIHNKHAORQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
192.2
MW (Da)
1.45
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MIA PaCa-2 CHEMBL614725 | IC50 | 4.12 | 4.12 | 75300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MIA PaCa-2 | IC50 | = | 75300.0 | nM | 4.12 | Antiproliferative activity against human MIAPaCa2 cells after 72 hrs by MTT assa... | 28129978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10201838 | 10.1016/s0960-894x(99)00057-8 | Plasmodium falciparum | 21 |
| 10201838 | 10.1016/s0960-894x(99)00057-8 | Mus musculus | 5 |
| 26264501 | 10.1016/j.bmcl.2015.07.087 | NON-PROTEIN TARGET | 3 |
| 17010481 | 10.1016/j.ejmech.2006.07.013 | Leishmania amazonensis | 2 |
| 17010481 | 10.1016/j.ejmech.2006.07.013 | Peritoneal macrophage cell | 1 |
| 17010481 | 10.1016/j.ejmech.2006.07.013 | ADMET | 1 |
| 22632793 | 10.1016/j.bmc.2012.04.061 | Corynebacterium diphtheriae | 1 |
| 22632793 | 10.1016/j.bmc.2012.04.061 | Klebsiella pneumoniae | 1 |
| 22632793 | 10.1016/j.bmc.2012.04.061 | Escherichia coli | 1 |
| 26561365 | 10.1016/j.bmcl.2015.10.061 | MDA-MB-231 | 1 |
| 28129978 | 10.1016/j.bmcl.2017.01.037 | MDA-MB-231 | 1 |
| 28129978 | 10.1016/j.bmcl.2017.01.037 | MIA PaCa-2 | 1 |
| 28129978 | 10.1016/j.bmcl.2017.01.037 | 4T1 | 1 |
| 27520941 | 10.1016/j.bmcl.2016.07.022 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine