Compound Detail
CHEMBL300676
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Basic Information
| ChEMBL ID | CHEMBL300676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOWVFANEOZMPKG-REOHCLBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
150.2
MW (Da)
-0.19
ALogP
5
HBA
2
HBD
92.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 2.0 | nM | 8.7 | Effective concentration required for relaxation of rat aortic rings | 10762043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00608-7 | ADMET | 1 |
| 10762043 | 10.1016/s0960-894x(00)00060-3 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine