Compound Detail
CHEMBL1450103
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COC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCc1c(-c2ccccc2)[nH]c2c(F)cc(F)cc12
Basic Information
| ChEMBL ID | CHEMBL1450103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPNMQSFIGUSHDH-FQEVSTJZSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
485.5
MW (Da)
3.15
ALogP
4
HBA
4
HBD
135.6
PSA (Ų)
0.14
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.38
Ki 2 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 4 CHEMBL1853 | Ki | 9.15 | 9.15 | 0.7 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | IC50 | 8.38 | 8.38 | 4.2 | 3 |
| Somatostatin receptor type 2 CHEMBL1804 | Ki | 5.33 | 5.33 | 4720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 4 | Ki | = | 0.7 | nM | 9.15 | Displacement of 3-[125I]iodotyrosyl25-somatostatin-28 from recombinant human SST... | 30746066 |
| Somatostatin receptor type 4 | IC50 | = | 4.2 | nM | 8.38 | Binding affinity towards human Somatostatin receptor type 4 using 125I-[Leu,DTrp... | 14667212 |
| Somatostatin receptor type 4 | IC50 | = | 4.2 | nM | 8.38 | Binding affinity at human Somatostatin receptor type 4 by [125I][Leu8,D-Trp22,Ty... | 14667213 |
| Somatostatin receptor type 4 | IC50 | = | 4.2 | nM | 8.38 | Binding affinity towards human somatostatin receptor type 4 using [125I][Leu8,D-... | 14667214 |
| Somatostatin receptor type 2 | Ki | = | 4720.0 | nM | 5.33 | Displacement of 3-[125I]iodotyrosyl25-somatostatin-28 from recombinant human SST... | 30746066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14667213 | 10.1021/jm0302445 | Somatostatin receptor type 4 | 1 |
| 30746066 | 10.1039/C8MD00388B | Somatostatin receptor type 2 | 1 |
| 30746066 | 10.1039/C8MD00388B | Somatostatin receptor type 4 | 1 |
| 14667214 | 10.1021/jm030245x | Somatostatin receptor type 5 | 1 |
| 14667214 | 10.1021/jm030245x | Somatostatin receptor type 4 | 1 |
| 14667214 | 10.1021/jm030245x | Somatostatin receptor type 3 | 1 |
| 14667214 | 10.1021/jm030245x | Somatostatin receptor type 2 | 1 |
| 14667214 | 10.1021/jm030245x | Somatostatin receptor type 1 | 1 |
| 14667213 | 10.1021/jm0302445 | Somatostatin receptor type 5 | 1 |
| 14667212 | 10.1021/jm030243c | Somatostatin receptor type 1 | 1 |
| 14667213 | 10.1021/jm0302445 | Somatostatin receptor type 3 | 1 |
| 14667213 | 10.1021/jm0302445 | Somatostatin receptor type 2 | 1 |
| 14667213 | 10.1021/jm0302445 | Somatostatin receptor type 1 | 1 |
| 14667212 | 10.1021/jm030243c | Somatostatin receptor type 5 | 1 |
| 14667212 | 10.1021/jm030243c | Somatostatin receptor type 4 | 1 |
| 14667212 | 10.1021/jm030243c | Somatostatin receptor type 3 | 1 |
| 14667212 | 10.1021/jm030243c | Somatostatin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine