Compound Detail
CHEMBL1418004
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Basic Information
| ChEMBL ID | CHEMBL1418004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDYVBANLKXRHDJ-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
4.06
ALogP
4
HBA
4
HBD
93.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.12
EC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 6.12 | 5.89 | 763.0 | 2 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 5.49 | 4.925 | 3238.0 | 2 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.4 | 5.4 | 3985.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.79 | 4.79 | 16267.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 763.0 | nM | 6.12 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 2166.0 | nM | 5.66 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 3238.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Homogeneous Time Resolved Fluorescence (HTRF)-based cell-based... | - |
| Zinc finger protein mex-5 | EC50 | = | 3985.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 16267.0 | nM | 4.79 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 43609.0 | nM | 4.36 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine