Compound Detail
CHEMBL541388
FASUDIL HYDROCHLORIDE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL541388 |
| Name | FASUDIL HYDROCHLORIDE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LFVPBERIVUNMGV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL38380 |
| Active Moiety | CHEMBL38380 |
3
Targets
3
Activities
1
Assay Types
7
PK Parameters
12
Publications
2
Known Names
3
Indications
Molecular Properties
291.4
MW (Da)
1.22
ALogP
4
HBA
1
HBD
62.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Cardiovascular Diseases Carotid Stenosis Parkinson Disease
Activity Summary
IC50 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase CHEMBL2111459 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 6.29 | 6.29 | 508.8 | 1 |
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 59.8 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 55.4 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 0.0842 | ug.mL-1 | Rattus norvegicus |
| MRT | 1.2 | hr | Rattus norvegicus |
| T1/2 | 0.867 | hr | Rattus norvegicus |
| Tmax | 2.0 | hr | Rattus norvegicus |
| Tmax | 0.25 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase | IC50 | = | 180.0 | nM | 6.75 | Inhibition of Rho kinase | 17046269 |
| Rho-associated protein kinase 2 | IC50 | = | 508.8 | nM | 6.29 | Inhibition of ROCK2 (unknown origin) using 2-biotin as substrate measured after ... | 31088713 |
| C-C chemokine receptor type 2 | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of MCP1-induced cell migration in U937 cells expressing CCR2 by chemo... | 17046269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29033348 | 10.1016/j.bmc.2017.09.045 | Rattus norvegicus | 21 |
| 31088713 | 10.1016/j.bmcl.2019.05.006 | Rho-associated protein kinase 2 | 17 |
| 31088713 | 10.1016/j.bmcl.2019.05.006 | Rattus norvegicus | 16 |
| 31088713 | 10.1016/j.bmcl.2019.05.006 | ADMET | 15 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 17046269 | 10.1016/j.bmc.2006.09.052 | Rho-associated protein kinase | 1 |
| 17046269 | 10.1016/j.bmc.2006.09.052 | C-C chemokine receptor type 2 | 1 |
| 29033348 | 10.1016/j.bmc.2017.09.045 | No relevant target | 1 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine