Compound Detail
CHEMBL1468368
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Basic Information
| ChEMBL ID | CHEMBL1468368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUBNKBCWUDDWHQ-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
2.20
ALogP
7
HBA
2
HBD
107.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.38
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.38 | 5.38 | 4120.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.92 | 4.92 | 11887.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.78 | 4.78 | 16731.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.73 | 4.62 | 18500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | EC50 | = | 4120.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
| Zinc finger protein mex-5 | EC50 | = | 11887.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 16731.0 | nM | 4.78 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Unchecked | EC50 | = | 18500.0 | nM | 4.73 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Unchecked | EC50 | = | 31200.0 | nM | 4.51 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
Data from ChEMBL 36 via Core Engine