Compound Detail
CHEMBL4583177
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Basic Information
| ChEMBL ID | CHEMBL4583177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVMPWGASZCIMMZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
4.50
ALogP
6
HBA
1
HBD
61.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 7.01 | 7.01 | 98.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 79.4 | mL.min-1.kg-1 | Mus musculus |
| Vd | 7.68 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | EC50 | = | 98.0 | nM | 7.01 | Allosteric modulation of human GFP-fused PK-tagged Gq-coupled NTR1 expressed in ... | 31390201 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31390201 | 10.1021/acs.jmedchem.9b00340 | Neurotensin receptor type 1 | 2 |
| 31390201 | 10.1021/acs.jmedchem.9b00340 | ADMET | 2 |
| 31390201 | 10.1021/acs.jmedchem.9b00340 | Neurotensin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine