Compound Detail
CHEMBL1446377
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Basic Information
| ChEMBL ID | CHEMBL1446377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYVVZRKDKNAKQL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
4.25
ALogP
7
HBA
0
HBD
60.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.23
IC50 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.41 | 5.41 | 3905.0 | 1 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.23 | 5.22 | 5900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3905.0 | nM | 5.41 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Neurotensin receptor type 1 | EC50 | = | 5900.0 | nM | 5.23 | Agonist activity at NTR1 (unknown origin) expressed in human U2OS cells coexpres... | 24611085 |
| Neurotensin receptor type 1 | EC50 | = | 6190.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24611085 | 10.1021/ml400176n | Neurotensin receptor type 1 | 2 |
| 24611085 | 10.1021/ml400176n | Neurotensin receptor type 2 | 1 |
| 24611085 | 10.1021/ml400176n | G-protein coupled receptor 35 | 1 |
Data from ChEMBL 36 via Core Engine