Compound Detail
CHEMBL283136
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL283136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNCMNPQOJWALQJ-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
3
PK Parameters
9
Publications
0
Known Names
Molecular Properties
486.3
MW (Da)
3.59
ALogP
8
HBA
2
HBD
119.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 7.72 | 7.72 | 19.0 | 3 |
| Endothelin receptor type B CHEMBL1785 | IC50 | 5.0 | 5.0 | 10100.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | - | % | Rattus norvegicus |
| F | - | % | Rattus norvegicus |
| T1/2 | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 19.0 | nM | 7.72 | Inhibitory concentration was determined against selective Endothelin A receptor | 11312921 |
| Endothelin-1 receptor | IC50 | = | 19.0 | nM | 7.72 | In vitro inhibition of endothelin binding to human Endothelin A receptor using [... | 9171877 |
| Endothelin-1 receptor | IC50 | = | 19.0 | nM | 7.72 | In vitro inhibition of endothelin binding to human Endothelin A receptor using [... | 9171878 |
| Endothelin receptor type B | IC50 | = | 10100.0 | nM | 5.0 | In vitro inhibition of endothelin binding to human Endothelin B receptor using [... | 9171877 |
| Endothelin receptor type B | IC50 | = | 10100.0 | nM | 5.0 | In vitro inhibition of endothelin binding to human Endothelin B receptor using [... | 9171878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9171878 | 10.1021/jm9700068 | Rattus norvegicus | 2 |
| 11312921 | 10.1021/jm000349x | Endothelin-1 receptor | 1 |
| 11312921 | 10.1021/jm000349x | Endothelin receptor, ET-A/ET-B | 1 |
| 11312921 | 10.1021/jm000349x | ADMET | 1 |
| 9171877 | 10.1021/jm9608366 | Endothelin-1 receptor | 1 |
| 9171877 | 10.1021/jm9608366 | Endothelin receptor type B | 1 |
| 9171878 | 10.1021/jm9700068 | Endothelin-1 receptor | 1 |
| 9171878 | 10.1021/jm9700068 | Endothelin receptor type B | 1 |
| 9171878 | 10.1021/jm9700068 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine