Compound Detail
CHEMBL5722984
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Basic Information
| ChEMBL ID | CHEMBL5722984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUYBFSHOAFURJC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
456.8
MW (Da)
5.42
ALogP
6
HBA
3
HBD
101.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Saphenous artery CHEMBL4845615 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of His-tagged human ROCK2 expressed in Sf9 cells pre-incubated for 10... | 18973168 |
| Saphenous artery | IC50 | = | 82.0 | nM | 7.09 | Vasorelaxant activity in isolated Chinchilla rabbit saphenous artery vessels ass... | 18973168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18973168 | 10.1002/cmdc.200800211 | Rho-associated protein kinase 2 | 1 |
| 18973168 | 10.1002/cmdc.200800211 | Saphenous artery | 1 |
| 18973168 | 10.1002/cmdc.200800211 | Rattus norvegicus | 1 |
| 18973168 | 10.1002/cmdc.200800211 | Cytochrome P450 3A4 | 1 |
| 18973168 | 10.1002/cmdc.200800211 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine