Compound Detail
CHEMBL5270382
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Basic Information
| ChEMBL ID | CHEMBL5270382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGSCJRALLFHGQF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
379.3
MW (Da)
3.62
ALogP
7
HBA
3
HBD
125.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 9.05 | 9.025 | 0.9 | 2 |
| Saphenous artery CHEMBL4845615 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 0.9 | nM | 9.05 | Inhibition of His-tagged human ROCK2 expressed in Sf9 cells pre-incubated for 10... | 18973168 |
| Rho-associated protein kinase 2 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of ROCK2 (unknown origin) | 26486225 |
| Saphenous artery | IC50 | = | 20.0 | nM | 7.7 | Vasorelaxant activity in isolated Chinchilla rabbit saphenous artery vessels ass... | 18973168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26486225 | 10.1021/acs.jmedchem.5b00683 | Rho-associated protein kinase 2 | 1 |
| 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