Compound Detail
CHEMBL2003819
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Basic Information
| ChEMBL ID | CHEMBL2003819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZNPUNBLLSKMIS-YBFXNURJSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
3.21
ALogP
7
HBA
2
HBD
94.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.18 | 5.18 | 6620.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.06 | 5.06 | 8677.0 | 1 |
| Opioid receptors; mu & delta CHEMBL2095149 | EC50 | 5.0 | 5.0 | 9949.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.88 | 4.88 | 13292.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | EC50 | = | 6620.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
| Streptococcus sp. 'group A' | EC50 | = | 8677.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Opioid receptors; mu & delta | EC50 | = | 9949.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Streptococcus | EC50 | = | 13292.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine