Compound Detail
CHEMBL1170627
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCCCN)C(C)(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1170627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILBWCVGOOQVANC-FBDWWTLJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
788.0
MW (Da)
1.07
ALogP
9
HBA
10
HBD
282.2
PSA (Ų)
0.05
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | Kd | 8.24 | 8.24 | 5.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | Kd | = | 5.71 | nM | 8.24 | Binding affinity to human NTS1R assessed as dissociation constant | 37094450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20481538 | 10.1021/jm100092s | Rattus norvegicus | 2 |
| 37094450 | 10.1016/j.ejmech.2023.115386 | Neurotensin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine