Compound Detail
CHEMBL4279408
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CC(C)C[C@H](NC(=O)[C@H]1CC=CC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4279408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABHGQJQISKJOJR-QWGZUQTQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
685.8
MW (Da)
-0.20
ALogP
9
HBA
8
HBD
246.3
PSA (Ų)
0.11
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | IC50 | 4.84 | 4.84 | 14300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | IC50 | = | 14300.0 | nM | 4.84 | Displacement of 125I-[Tyr3]-NT from human NTS1 receptor expressed in CHO-K1 cell... | 29541365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29541365 | 10.1021/acsmedchemlett.7b00500 | Neurotensin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine