Compound Detail
CHEMBL1490404
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Basic Information
| ChEMBL ID | CHEMBL1490404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFHWDFSHOGJEEG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
363.8
MW (Da)
3.36
ALogP
7
HBA
1
HBD
103.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.28 | 6.25 | 523.0 | 2 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 523.0 | nM | 6.28 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 596.0 | nM | 6.22 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Neurotensin receptor type 1 | EC50 | = | 3800.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
Data from ChEMBL 36 via Core Engine