Compound Detail
CHEMBL1308993
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 | CHEMBL1308993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWFOHUAXYUCJHH-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
1.31
ALogP
8
HBA
1
HBD
75.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase XIAP CHEMBL4198 | IC50 | 6.16 | 6.16 | 698.9 | 1 |
| Female germline-specific tumor suppressor gld-1 CHEMBL1293302 | IC50 | 5.28 | 5.28 | 5308.0 | 1 |
| Plectin CHEMBL1293240 | IC50 | 5.09 | 4.96 | 8072.0 | 3 |
| Protein Rev CHEMBL1293282 | IC50 | 4.95 | 4.95 | 11141.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase XIAP | IC50 | = | 698.94 | nM | 6.16 | PUBCHEM_BIOASSAY: Counter Screen using XIAP-Bir3 for Chemical Antagonists of Bir... | - |
| Female germline-specific tumor suppressor gld-1 | IC50 | = | 5308.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Plectin | IC50 | = | 8072.0 | nM | 5.09 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the bindi... | - |
| Plectin | IC50 | = | 10582.0 | nM | 4.97 | PUBCHEM_BIOASSAY: HTS TR-FRET-based dose response confirmatory assay for Siah-1.... | - |
| Protein Rev | IC50 | = | 11141.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarizati... | - |
| Plectin | IC50 | = | 15282.0 | nM | 4.82 | PUBCHEM_BIOASSAY: HTS fluorescence polarization-based dose response confirmatory... | - |
Data from ChEMBL 36 via Core Engine