Compound Detail
CHEMBL506981
REMINERTANT 🧪 Phase III
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🧪 Phase III
COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccnc2cc(Cl)ccc12
Basic Information
| ChEMBL ID | CHEMBL506981 |
| Name | REMINERTANT |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | DYLJVOXRWLXDIG-UHFFFAOYSA-N |
10
Targets
22
Activities
4
Assay Types
2
PK Parameters
20
Publications
4
Known Names
3
Indications
1
Mechanisms
Molecular Properties
587.1
MW (Da)
5.77
ALogP
7
HBA
2
HBD
115.6
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Neurotensin receptor 1 antagonist | ANTAGONIST | Neurotensin receptor type 1 | ✓ | ✓ |
Indications
Lung Neoplasms Lung Neoplasms Small Cell Lung Carcinoma
Activity Summary
IC50 9 meas. best 9.0
Kd 7 meas. best 8.08
Ki 4 meas. best 8.59
EC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | IC50 | 9.0 | 8.045 | 1.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Neurotensin receptor type 1 CHEMBL3027 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| Neurotensin receptor type 1 CHEMBL4123 | Kd | 8.08 | 7.7971 | 8.4 | 7 |
| Neurotensin receptor type 2 CHEMBL5106 | Ki | 7.21 | 7.21 | 62.0 | 1 |
| Neurotensin receptor type 1 CHEMBL3027 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
| Neurotensin receptor type 2 CHEMBL5106 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Sortilin CHEMBL3091 | IC50 | 6.62 | 6.62 | 238.0 | 1 |
| Neurotensin receptor type 2 CHEMBL2514 | Ki | 6.38 | 6.38 | 418.0 | 1 |
| N-formyl peptide receptor 3 CHEMBL5646 | IC50 | 5.3 | 5.3 | 4991.5 | 1 |
| G-protein coupled receptor 183 CHEMBL3259470 | IC50 | 5.2 | 5.2 | 6269.1 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 4.51 | 4.51 | 31000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 36.0 | nM | - |
| Ke | 4.7 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18809332 | 10.1016/j.bmc.2008.08.051 | Neurotensin receptor type 1 | 14 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 10 |
| - | 10.6019/CHEMBL4689842 | U2OS | 8 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 8 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 5 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 5 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 5 |
| 24856674 | 10.1021/jm5003843 | Neurotensin receptor type 2 | 3 |
| 24332089 | 10.1016/j.bmcl.2013.11.026 | Neurotensin receptor type 1 | 2 |
| 23721919 | 10.1016/j.bmc.2013.04.075 | SK-OV-3 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
Data from ChEMBL 36 via Core Engine