Compound Detail
CHEMBL1407659
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Basic Information
| ChEMBL ID | CHEMBL1407659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWPIQOOLXJHLKP-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
3.76
ALogP
6
HBA
0
HBD
50.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.49
EC50 3 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.49 | 5.15 | 3240.0 | 4 |
| Unchecked CHEMBL612545 | EC50 | 5.07 | 4.965 | 8480.0 | 2 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.01 | 5.01 | 9820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3240.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| Unchecked | IC50 | = | 4900.0 | nM | 5.31 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
| Unchecked | IC50 | = | 5390.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
| Unchecked | EC50 | = | 8480.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7K ce... | - |
| Neurotensin receptor type 1 | EC50 | = | 9820.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
| Unchecked | EC50 | = | 13800.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7 cel... | - |
| Unchecked | IC50 | = | 29600.0 | nM | 4.53 | PUBCHEM_BIOASSAY: Dose response cytotoxicity of uHTS chemical inhibitors of T-ce... | - |
Data from ChEMBL 36 via Core Engine