Compound Detail
CHEMBL4453074
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Basic Information
| ChEMBL ID | CHEMBL4453074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQYVLNLVFPNUIS-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
5.89
ALogP
5
HBA
0
HBD
41.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.52 | 5.32 | 3010.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | EC50 | = | 3010.0 | nM | 5.52 | Allosteric modulation of human GFP-fused PK-tagged Gq-coupled NTR1 expressed in ... | 31390201 |
| Neurotensin receptor type 1 | EC50 | = | 6000.0 | nM | 5.22 | NTR1 Ca2+ Flux Dose Response: NTSR1 (NTR1) CHO cells are plated in 20 uL of assa... | - |
| Neurotensin receptor type 1 | EC50 | = | 6000.0 | nM | 5.22 | NTR1 Ca2+ Flux Dose Response: NTSR1 (NTR1) CHO cells are plated in 20 μL of assa... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31390201 | 10.1021/acs.jmedchem.9b00340 | Neurotensin receptor type 1 | 2 |
| 31390201 | 10.1021/acs.jmedchem.9b00340 | Neurotensin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine