Compound Detail
CHEMBL3319215
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Basic Information
| ChEMBL ID | CHEMBL3319215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGMODZIUQQKLRO-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
12
PK Parameters
11
Publications
0
Known Names
Molecular Properties
536.1
MW (Da)
3.32
ALogP
8
HBA
2
HBD
111.7
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | IC50 | 8.89 | 8.89 | 1.3 | 2 |
| Histone deacetylase CHEMBL2095943 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 24.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 35.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 8.1 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 340.0 | nM | Rattus norvegicus |
| Cmax | 710.0 | nM | Mus musculus |
| Cmax | 200.0 | nM | Canis lupus familiaris |
| F | 125.0 | % | Rattus norvegicus |
| F | 40.0 | % | Mus musculus |
| F | 51.0 | % | Canis lupus familiaris |
| Fu | 0.08 | - | Rattus norvegicus |
| Fu | 0.13 | - | Mus musculus |
| Fu | 0.096 | - | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | IC50 | = | 1.3 | nM | 8.89 | Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell mem... | 24967667 |
| Growth hormone secretagogue receptor type 1 | IC50 | = | 1.3 | nM | 8.89 | Partial agonist activity at GHS-R1a (unknown origin) | 35157454 |
| Histone deacetylase | IC50 | = | 3.6 | nM | 8.44 | Displacement of [125I]human ghrelin from rat GHS-R1a expressed in HEK cell membr... | 24967667 |
| Unchecked | IC50 | = | 4.9 | nM | 8.31 | Displacement of [125I]human ghrelin from mouse GHS-R1a expressed in HEK cell mem... | 24967667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24967667 | 10.1021/jm500610n | Mus musculus | 6 |
| 24967667 | 10.1021/jm500610n | Rattus norvegicus | 4 |
| 24967667 | 10.1021/jm500610n | Canis familiaris | 4 |
| 24967667 | 10.1021/jm500610n | Plasma | 3 |
| 24967667 | 10.1021/jm500610n | ADMET | 3 |
| 24967667 | 10.1021/jm500610n | Growth hormone secretagogue receptor type 1 | 2 |
| 24967667 | 10.1021/jm500610n | No relevant target | 2 |
| 24967667 | 10.1021/jm500610n | MDCK | 2 |
| 24967667 | 10.1021/jm500610n | Histone deacetylase | 1 |
| 24967667 | 10.1021/jm500610n | Unchecked | 1 |
| 35157454 | 10.1021/acs.jmedchem.1c02191 | Growth hormone secretagogue receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine