Compound Detail
CHEMBL1321527
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Basic Information
| ChEMBL ID | CHEMBL1321527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHHRZTKNLFQIHL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
2.50
ALogP
2
HBA
1
HBD
43.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
EC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.675 | 1110.0 | 2 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.09 | 5.09 | 8090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1110.0 | nM | 5.96 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 4110.0 | nM | 5.39 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| Neurotensin receptor type 1 | EC50 | = | 8090.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
Data from ChEMBL 36 via Core Engine