Compound Detail
CHEMBL3319397
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CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(-n5cccn5)c(Cl)cc4Cl)sc3c2)CC1
Basic Information
| ChEMBL ID | CHEMBL3319397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STIRWCQGTLJKPG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
636.6
MW (Da)
4.16
ALogP
10
HBA
2
HBD
129.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | IC50 | 9.51 | 9.51 | 0.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 30.0 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | IC50 | = | 0.31 | nM | 9.51 | Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell mem... | 24967667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24967667 | 10.1021/jm500610n | Growth hormone secretagogue receptor type 1 | 2 |
| 24967667 | 10.1021/jm500610n | MDCK | 2 |
| 24967667 | 10.1021/jm500610n | No relevant target | 1 |
| 24967667 | 10.1021/jm500610n | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine