FASUDIL

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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

Pharmacology

Mechanism of Action Action Reference
Rho-associated protein kinase inhibitor INHIBITOR PubMed
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
- 158-940 78 100-530 7-52.5
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 PKN family
- 780-780 - - 15
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase MSK subfamily
- - - - 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
- - - - 90-91
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MLCK family
- - - - 93-93
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase MSKb subfamily
- - - - 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
- - - - 87-103
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
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - 420 - 35
Homo sapiens
- 158-940 78 330-530 15-103
Oryctolagus cuniculus
- - - - 37-89
Ovis aries
- - - - 93
Rattus norvegicus
- 781 - - 7-77

Target Conservation

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

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