Compound Detail
CHEMBL434134
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N1CC[C@@]2(CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL434134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZRNUSLCMREOFC-GPBZUUBNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
843.0
MW (Da)
-1.04
ALogP
10
HBA
10
HBD
340.3
PSA (Ų)
0.04
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | Ki | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | Ki | = | 17000.0 | nM | 4.77 | In vitro inhibition of [3H]NT binding to porcine striatal Neurotensin receptor 1 | 15481995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15481995 | 10.1021/jm049644y | Neurotensin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine