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targets (3)
for drugs
Identification
Name HYDROXYFASUDIL
Accession Number DB04707
Type small molecule
Groups experimental
Description Not Available
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms Not Available
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories Not Available
CAS number Not Available
Weight Average: 307.368
Monoisotopic: 307.099062115
Chemical Formula C14H17N3O3S
InChI Key InChIKey=ZAVGJDAFCZAWSZ-UHFFFAOYSA-N
InChI
InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)
Plain Text
IUPAC Name
5-(1,4-diazepane-1-sulfonyl)isoquinolin-1-ol
SMILES
OC1=C2C=CC=C(C2=CC=N1)S(=O)(=O)N1CCCNCC1
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
Absorption Not Available
Volume of distribution Not Available
Protein binding Not Available
Metabolism Not Available
Route of elimination Not Available
Half life Not Available
Clearance Not Available
Toxicity Not Available
Affected organisms Not Available
Pathways Not Available
Pharmacoeconomics
Manufacturers Not Available
Packagers Not Available
Dosage forms Not Available
Prices Not Available
Patents Not Available
Properties
State solid
Experimental Properties Not Available
Predicted Properties
Property Value Source
water solubility 6.59e-01 g/l ALOGPS
logP -0.04 ALOGPS
logP 0.61 ChemAxon
logS -2.7 ALOGPS
pKa (strongest acidic) 11.09 ChemAxon
pKa (strongest basic) 8.04 ChemAxon
physiological charge 1 ChemAxon
hydrogen acceptor count 5 ChemAxon
hydrogen donor count 2 ChemAxon
polar surface area 82.53 ChemAxon
rotatable bond count 1 ChemAxon
refractivity 80.22 ChemAxon
polarizability 31.07 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
PubChem Compound 3064778 Link_out
PubChem Substance 46508609 Link_out
ChemSpider 2325236 Link_out
BindingDB 14031 Link_out
Therapeutic Targets Database DNC000754 Link_out
HET HFS Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries Not Available
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Targets

1. Rho-associated protein kinase 1

Pharmacological action: unknown
Actions: inhibitor

Protein kinase that phosphorylates a large number of important signaling proteins, and thereby regulates the assembly of the actin cytoskeleton, cell migration, invasiveness of tumor cells, smooth muscle contraction and neurite outgrowth. Necessary for apoptotic membrane blebbing. Plays a role in smooth muscle contraction. Required for centromere positioning and centromere- dependent exit from mitosis

Organism class: human
UniProt ID: Q13464 Link_out
Gene: ROCK1 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. Pubmed
  2. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

2. cAMP-dependent protein kinase catalytic subunit alpha

Pharmacological action: unknown

Phosphorylates a large number of substrates in the cytoplasm and the nucleus

Organism class: human
UniProt ID: P17612 Link_out
Gene: PRKACA Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

3. cAMP-dependent protein kinase inhibitor alpha

Pharmacological action: unknown

Extremely potent competitive inhibitor of cAMP-dependent protein kinase activity, this protein interacts with the catalytic subunit of the enzyme after the cAMP-induced dissociation of its regulatory chains

Organism class: human
UniProt ID: P61925 Link_out
Gene: PKIA Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed
Comments
Drug created on September 11, 2007 11:49 / Updated on February 08, 2013 16:23