Compound Detail
CHEMBL507382
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NC1(C(=O)O)C2CC3CC(C2)CC1C3
Basic Information
| ChEMBL ID | CHEMBL507382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMCIRTPGPAKLJS-YTNDVNQYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
881.1
MW (Da)
-0.32
ALogP
10
HBA
13
HBD
344.1
PSA (Ų)
0.04
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | Ki | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | Ki | = | 2.4 | nM | 8.62 | Displacement of [3H]NT(8-13) from wild type human NTR1 expressed in HEK293 cells | 18809332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18809332 | 10.1016/j.bmc.2008.08.051 | Neurotensin receptor type 1 | 2 |
Data from ChEMBL 36 via Core Engine