Compound Detail
CHEMBL3315206
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CC(C)C[C@H](NC(=O)Cn1ccc2cc(N(Cc3ccnc4ccccc34)Cc3ccnc4ccccc34)ccc21)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3315206 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXAUQQCCXVEEJZ-XIFFEERXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
585.7
MW (Da)
6.56
ALogP
6
HBA
2
HBD
100.3
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.67 | 5.67 | 2120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | EC50 | = | 2120.0 | nM | 5.67 | Agonist activity at NTSR1 (unknown origin) expressed in CHO cells assessed as po... | 24997685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24997685 | 10.1016/j.bmcl.2014.06.033 | Neurotensin receptor type 1 | 2 |
Data from ChEMBL 36 via Core Engine