Compound Detail
CHEMBL1323872
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Basic Information
| ChEMBL ID | CHEMBL1323872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVKHGPUYRQYOGC-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1616531 |
| Active Moiety | CHEMBL1616531 |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
5.45
ALogP
3
HBA
0
HBD
16.4
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.59
IC50 3 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 3 CHEMBL2731 | IC50 | 6.89 | 6.89 | 128.3 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 6.21 | 6.21 | 616.8 | 1 |
| BJ CHEMBL614358 | EC50 | 5.59 | 5.5333 | 2544.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 5.21 | 5.21 | 6238.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 4.55 | 4.55 | 27843.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 3 | IC50 | = | 128.28 | nM | 6.89 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
| COUP transcription factor 2 | IC50 | = | 616.83 | nM | 6.21 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| BJ | EC50 | = | 2544.0 | nM | 5.59 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| BJ | EC50 | = | 3071.0 | nM | 5.51 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 3159.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | EC50 | = | 6238.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Tegument protein VP16 | IC50 | = | 27843.0 | nM | 4.55 | PubChem BioAssay. Counterscreen for inhibitors of COUP-TFII (NR2F2): Luminescenc... | - |
Data from ChEMBL 36 via Core Engine