Compound Detail
CHEMBL1372112
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Basic Information
| ChEMBL ID | CHEMBL1372112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKTJHWJHBYOHTQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1616855 |
| Active Moiety | CHEMBL1616855 |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
374.3
MW (Da)
3.75
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.06
IC50 2 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.33 | 5.125 | 4730.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.06 | 5.06 | 8780.0 | 1 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4730.0 | nM | 5.33 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | EC50 | = | 8780.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | IC50 | = | 12030.0 | nM | 4.92 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| Neurotensin receptor type 1 | EC50 | = | 33000.0 | nM | 4.48 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
Data from ChEMBL 36 via Core Engine