FASUDIL

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC C04AX32
UNII Q0CH43PGXS
EPA CompTox DTXSID4048569

Structure

InChI Key NGOGFTYYXHNFQH-UHFFFAOYSA-N
Smiles O=S(=O)(c1cccc2cnccc12)N1CCCNCC1
InChI
InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H17N3O2S
Molecular Weight 291.38
AlogP 1.22
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 62.3
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Bioactivity

Mechanism of Action Action Reference
Rho-associated protein kinase inhibitor INHIBITOR PubMed
Protein: Rho-associated protein kinase
Description: Rho-associated protein kinase 2
Organism : Homo sapiens
O75116 ENSG00000134318
Protein: Rho-associated protein kinase
Description: Rho-associated protein kinase 1
Organism : Homo sapiens
Q13464 ENSG00000067900
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase AKT family
- - - - 88
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase ROCK subfamily
- 158-11749 78 100-530 32-53
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKA family
- - - 460 -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC alpha subfamily
- - - - 86
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC eta subfamily
- 3000-3000 - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKN family
- 780-4000 - - 15
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase MSK subfamily
- 5000 - - 19
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase p70 subfamily
- - - - 32
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase SGK family
- - - - 92
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PDHK subfamily
- - - - 92
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase CHK1 subfamily
- - - - 82
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MAPKAPK family CAMK protein kinase MAPKAPK subfamily
- - - - 90
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MLCK family
- 3600-21600 - 36000 93
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase MSKb subfamily
- 5000 - - 19
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- - - - 90
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase ERK subfamily
- - - - 94
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase JNK subfamily
- - - - 96
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily
- - - - 103
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - - - 102
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- - - - 94
Enzyme Kinase Protein kinase regulatory subunit
- - - - 102
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - 25119 -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor
- 35000 - - -
Assay Description Organism Bioactivity Reference
Inhibition of Rho kinase Homo sapiens 180.0 nM
Inhibitory constant against PKA Homo sapiens 460.0 nM
Inhibitory constant against ROCK1 Homo sapiens 530.0 nM
Inhibition of human ROCK1 by homogenous luciferase assay Homo sapiens 530.0 nM
Inhibition of human ROCK2 by homogenous luciferase assay Homo sapiens 660.0 nM
Solubility at pH 4.5 None 180.0 nM
Inhibition of PKN2 None 780.0 nM
Inhibition of ROCK2 None 400.0 nM
Inhibition of ROCK1 None 660.0 nM
Inhibition of Prkcl2 None 780.0 nM
Inhibition of ROCK None 181.97 nM
Inhibition of rabbit MKK1 expressed in Escherichia coli at 20 uM Oryctolagus cuniculus 89.0 %
Inhibition of His-tagged human MAPK2/ERK2 expressed in Escherichia coli at 20 uM Homo sapiens 94.0 %
Inhibition of His-tagged human JNK1a1/SAPK1c expressed in Escherichia coli at 20 uM Homo sapiens 96.0 %
Inhibition of His-tagged human SAPK2a/p38 expressed in Escherichia coli at 20 uM Homo sapiens 93.0 %
Inhibition of His-tagged human SAPK2b/p38b2 expressed in Escherichia coli at 20 uM Homo sapiens 97.0 %
Inhibition of His-tagged human SAPK3/p38gamma expressed in Escherichia coli at 20 uM Homo sapiens 87.0 %
Inhibition of His-tagged human SAPK4/p38delta expressed in Escherichia coli at 20 uM Homo sapiens 103.0 %
Inhibition of MAPKAPK1b from rabbit skeletal muscle at 20 uM Oryctolagus cuniculus 37.0 %
Inhibition of His-tagged human MAPKAPK2 expressed in Escherichia coli at 20 uM Homo sapiens 90.0 %
Inhibition of His-tagged human MSK1 expressed in Sf9 cells at 20 uM Homo sapiens 19.0 %
Inhibition of His-tagged human PRAK expressed in Sf9 cells at 20 uM Homo sapiens 91.0 %
Inhibition of bovine heart PKA at 20 uM Bos taurus 35.0 %
Inhibition of His-tagged human PKCalpha expressed in Escherichia coli at 20 uM Homo sapiens 86.0 %
Inhibition of His-tagged human PDK1 expressed in Sf21 cells at 20 uM Homo sapiens 92.0 %
Inhibition of human PKBalpha expressed in SF9 cells at 20 uM Homo sapiens 88.0 %
Inhibition of His-tagged human SGK expressed in Sf9 cells at 20 uM Homo sapiens 92.0 %
Inhibition of His-tagged human S6K1 expressed in Escherichia coli at 20 uM Homo sapiens 32.0 %
Inhibition of His-tagged human GSK3b expressed in Sf21 cells at 20 uM Homo sapiens 90.0 %
Inhibition of rat ROCK2 expressed in Sf9 cells at 20 uM Rattus norvegicus 7.0 %
Inhibition of rat liver AMPK at 20 uM Rattus norvegicus 77.0 %
Inhibition of His-tagged human CK2 expressed in Sf9 cells at 20 uM Homo sapiens 102.0 %
Inhibition of PHK from rabbit skeletal muscle at 20 uM Oryctolagus cuniculus 58.0 %
Inhibition of His-tagged human LCK expressed in Sf9 cells at 20 uM Homo sapiens 94.0 %
Inhibition of His-tagged human CHK1 expressed in Escherichia coli at 20 uM Homo sapiens 82.0 %
Inhibition of His-tagged human SkMLCK expressed in Escherichia coli at 20 uM Homo sapiens 93.0 %
Inhibition of chicken SmMLCK expressed in Escherichia coli at 20 uM Ovis aries 93.0 %
Inhibition of His-tagged human PRK2 expressed in HEK293 cells at 20 uM Homo sapiens 15.0 %
Inhibition of ROCK-1 None 100.0 nM
Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 substrate and [gamma-33P]ATP after 90 mins by scintillation proximity assay Homo sapiens 300.0 nM
PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCQ None 630.96 nM PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCQ None 630.96 nM
PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROCK2 None 50.12 nM PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROCK2 None 50.12 nM
PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ABL1 None 630.96 nM
PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKX None 50.12 nM PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKX None 50.12 nM
PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROCK1 None 31.62 nM PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROCK1 None 31.62 nM
PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FYN None 794.33 nM
PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT1 None 398.11 nM
PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKACA None 79.43 nM PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKACA None 79.43 nM
PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK4 None 316.23 nM PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK4 None 316.23 nM
Displacement of fluorescent-ARC-1063 from recombinant bovine PKAc by luminescence intensity assay Bos taurus 420.0 nM
Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity assay Homo sapiens 78.0 nM
Inhibition of ROCK2 (unknown origin) Homo sapiens 158.0 nM
Inhibition of ROCK1 (unknown origin) Homo sapiens 260.0 nM
Inhibition of ROCK2 (unknown origin) Homo sapiens 320.0 nM
Inhibition of human leukocytic ROCK1 expressed in insect cells using KKRNRTLSV as substrate after 10 mins by pyruvate kinase/lactate dehydrogenase coupled assay Homo sapiens 530.0 nM
Inhibition of ROCK1 (unknown origin) Homo sapiens 260.0 nM
Inhibition of ROCK2 (unknown origin) Homo sapiens 320.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 152.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 841.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 99.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 247.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 906.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 943.0 nM
Inhibition of ROCK2 (unknown origin) at 0.5 mM after 30 mins by immunoassay relative to control Homo sapiens 32.33 %
Inhibition of ROCK2 (unknown origin) at 1 mM after 30 mins by immunoassay relative to control Homo sapiens 52.5 %
Inhibition of oxytocin-induced uterus contraction in non-pregnant Sprague-Dawley rat measured for 300 secs Rattus norvegicus 781.0 nM
Inhibition of ROCK (unknown origin) Homo sapiens 330.0 nM
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 22.54 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 19.49 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.01 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.03 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.03 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.01 %
Inhibition of ROCK2 (unknown origin) Homo sapiens 320.0 nM
Inhibition of ROCK1 (unknown origin) Homo sapiens 260.0 nM
Inhibition of ROCK2 (unknown origin) Homo sapiens 220.0 nM
Inhibition of ROCK1 (unknown origin) Homo sapiens 940.0 nM

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL38380
DrugBank DB08162
DrugCentral 1132
FDA SRS Q0CH43PGXS
Guide to Pharmacology 5181
PDB M77
PubChem 3547
SureChEMBL SCHEMBL4674
ZINC ZINC000000006486
CONTENTS