Compound Detail
CHEMBL2177146
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 | CHEMBL2177146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZRPLTHVBYHDBJ-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
4.32
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| NCI-H1299 CHEMBL612255 | IC50 | 6.85 | 5.89 | 140.0 | 2 |
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 5.67 | 5.67 | 2150.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.16 | 5.16 | 6880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | IC50 | = | 90.0 | nM | 7.05 | Inhibition of FITC-geldanamycin binding to recombinant human full-length C-termi... | 30784881 |
| NON-PROTEIN TARGET | IC50 | = | 140.0 | nM | 6.85 | Cytotoxicity against human H1299 cells after 3 days by MTS assay | 23186287 |
| NCI-H1299 | IC50 | = | 140.0 | nM | 6.85 | Antiproliferative activity against human NCI-H1299 cells incubated for 2 days fo... | 31663736 |
| Hypoxia-inducible factor 1-alpha | IC50 | = | 2150.0 | nM | 5.67 | Inhibition of HIF-1alpha in human HRE-A549 cells pre-incubated for 1 hr before e... | 30252468 |
| A549 | IC50 | = | 6000.0 | nM | 5.22 | Antiproliferative activity against human A549 cells after 72 hrs by MTT assay | 30784881 |
| MCF7 | IC50 | = | 6880.0 | nM | 5.16 | Antiproliferative activity against human MCF7 cells after 72 hrs by MTT assay | 30784881 |
| NCI-H1299 | IC50 | = | 11830.0 | nM | 4.93 | Antiproliferative activity against human NCI-H1299 cells after 72 hrs by MTT ass... | 30784881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23186287 | 10.1021/jm301488q | Danio rerio | 6 |
| 30784881 | 10.1016/j.ejmech.2019.02.014 | NCI-H1299 | 4 |
| 23186287 | 10.1021/jm301488q | Heat shock protein HSP 90-beta | 3 |
| 26392052 | 10.1016/j.bmcl.2015.07.063 | Signal transducer and activator of transcription 3 | 2 |
| 30252468 | 10.1021/acs.jmedchem.8b00971 | Mus musculus | 2 |
| 23186287 | 10.1021/jm301488q | NON-PROTEIN TARGET | 1 |
| 26457742 | 10.1016/j.ejmech.2015.09.033 | Hypoxia-inducible factor 1-alpha | 1 |
| 27745993 | 10.1016/j.bmc.2016.09.067 | Heat shock protein HSP90 | 1 |
| 30252468 | 10.1021/acs.jmedchem.8b00971 | Hypoxia-inducible factor 1-alpha | 1 |
| 30784881 | 10.1016/j.ejmech.2019.02.014 | MCF7 | 1 |
| 30784881 | 10.1016/j.ejmech.2019.02.014 | A549 | 1 |
| 30784881 | 10.1016/j.ejmech.2019.02.014 | Heat shock protein HSP 90-alpha | 1 |
| 31663736 | 10.1021/acs.jmedchem.9b00940 | NCI-H1299 | 1 |
| 36549397 | 10.1016/j.bmcl.2022.129111 | NCI-H1299 | 1 |
Data from ChEMBL 36 via Core Engine