Compound Detail
CHEMBL601933
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Basic Information
| ChEMBL ID | CHEMBL601933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVSFJHNXSTYDAA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1198353 |
| Active Moiety | CHEMBL1198353 |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
220.4
MW (Da)
3.72
ALogP
2
HBA
1
HBD
28.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.29
EC50 3 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.29 | 5.31 | 510.0 | 2 |
| Galanin receptor type 3 CHEMBL2731 | IC50 | 5.71 | 5.71 | 1948.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 5.2 | 5.2 | 6340.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.04 | 5.04 | 9213.0 | 1 |
| BJ CHEMBL614358 | EC50 | 5.01 | 4.97 | 9763.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 510.0 | nM | 6.29 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
| Galanin receptor type 3 | IC50 | = | 1948.0 | nM | 5.71 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
| Jurkat | IC50 | = | 6340.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of b... | - |
| Unchecked | EC50 | = | 9213.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 9763.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 11860.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Unchecked | IC50 | = | 46200.0 | nM | 4.33 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of both... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485428 | 10.1038/nature09099 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine