ruboxistaurin 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
3533 169939-94-0

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • ruboxistaurin mesilate monohydrate
  • ruboxistaurin mesilate
  • ruboxistaurin mesylate
  • ruboxistaurin
inhibits protein kinase C beta
  • Molecular weight: 468.56
  • Formula: C28H28N4O3
  • CLOGP: 4.32
  • LIPINSKI: 0
  • HAC: 7
  • HDO: 1
  • TPSA: 68.50
  • ALOGS: -3.99
  • ROTB: 2

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class AAK1,ABL1,ABL2,ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AURKB,AURKC,AXL,BLK,BMX,BRAF,BTK,CAMK1,CAMK2A,CAMK2B,CAMK2D,CAMK2G,CDK1,CDK14,CDK16,CDK19,CDK2,CDK3,CDK4,CDK5,CDK6,CDK7,CDK9,CHEK1,CHEK2,CHUK,CLK2,CLK4,CSF1R,DDR1,DYRK1A,DYRK1B,DYRK2,DYRK3,EGFR,EIF2AK3,EPHA2,EPHB1,EPHB4,ERBB2,ERBB4,FGFR1,FGFR4,FLT1,FLT3,FLT4,FYN,GAK,GRK1,GRK2,GSK3A,GSK3B,HASPIN,HIPK2,IGF1R,IKBKB,INSR,IRAK1,IRAK3,IRAK4,ITK,JAK1,JAK2,JAK3,KDR,KIT,LCK,LRRK2,LYN,MAP2K1,MAP2K6,MAP3K1,MAP3K10,MAP3K11,MAP3K14,MAP3K19,MAP3K2,MAP3K21,MAP3K3,MAP3K7,MAP3K9,MAP4K1,MAP4K2,MAP4K3,MAP4K5,MAPK1,MAPK10,MAPK12,MAPK3,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK1,MARK2,MARK3,MARK4,MELK,MET,MINK1,MKNK1,MKNK2,MST1R,MTOR,NTRK1,NTRK2,NTRK3,NUAK1,PAK1,PAK2,PAK4,PAK5,PDGFRB,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM1,PIM2,PIM3,PLK1,PLK2,PLK3,PLK4,PRKAA1,PRKAA2,PRKACA,PRKCA,PRKCD,PRKCI,PRKCZ,PRKD1,PRKDC,PTK2,PTK6,RET,RIPK3,ROCK1,ROCK2,RPS6KA1,SGK1,SIK2,SIK3,SRC,STK10,STK16,STK17A,STK33,STK4,SYK,TBK1,TEK,TGFBR1,TNIK,TNK1,TTK,TYRO3,UHMK1,ULK1,ULK2,YES1,ZAP70 176
kinase-selectivity-class AAK1,ACVR2A,ACVR2B,ALK,AURKA,AURKB,AURKC,AXL,BRAF,CAMK2A,CAMK2B,CAMK2D,CDK1,CDK16,CDK2,CDK3,CDK4,CDK6,CDK7,CDK9,CHEK1,CLK2,CLK4,CSF1R,DDR1,DYRK1A,DYRK1B,DYRK3,EGFR,EIF2AK3,EPHA2,EPHB4,ERBB2,FGFR1,FLT1,FLT3,FLT4,FYN,GRK2,GSK3A,GSK3B,HIPK2,INSR,IRAK1,IRAK3,JAK1,JAK2,KDR,KIT,LRRK2,LYN,MAP2K1,MAP2K3,MAP2K6,MAP3K10,MAP3K11,MAP3K19,MAP3K2,MAP3K21,MAP3K7,MAP3K9,MAP4K1,MAP4K3,MAP4K5,MAPK1,MAPK12,MAPK7,MARK1,MARK2,MARK4,MELK,MET,MINK1,MST1R,NTRK1,NTRK3,NUAK1,PAK4,PDK1,PDK4,PDPK1,PIK3CD,PIK3CG,PIM3,PRKAA1,PRKAA2,PRKACA,PRKCD,PRKCI,PRKCZ,PRKDC,ROCK1,SIK2,SIK3,SRC,STK10,STK17A,STK33,STK4,SYK,TEK,TGFBR1,TNIK,TTK,ULK1,ULK2 106
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
MeSH PA D004791 Enzyme Inhibitors
CHEBI has role CHEBI:35526 hypoglycemic agent
CHEBI has role CHEBI:35554 cardiovascular drug

Drug Use | Suggest Off label Use Form| |View source of the data|

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 8.35 acidic
pKa2 8.95 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])		Mechanism
action		Bioact sourceMoA source
Protein kinase C eta type Kinase Kd 5.74 CHEMBL
Fibroblast growth factor receptor 1 Kinase Kd 5.29 CHEMBL
G protein-coupled receptor kinase 7 Kinase Kd 6.51 CHEMBL
Tyrosine-protein kinase JAK3 Kinase Kd 6.38 CHEMBL
Platelet-derived growth factor receptor beta Kinase Kd 5.15 CHEMBL
Mast/stem cell growth factor receptor Kit Kinase Kd 6.42 CHEMBL
Epidermal growth factor receptor Kinase Kd 5.29 CHEMBL
Tyrosine-protein kinase Lck Kinase Kd 5.89 CHEMBL
Receptor-type tyrosine-protein kinase FLT3 Kinase Kd 6.89 CHEMBL
Ribosomal protein S6 kinase alpha-3 Kinase Kd 5.66 CHEMBL
Serine/threonine-protein kinase pim-1 Kinase Kd 7.30 CHEMBL
Myosin light chain kinase, smooth muscle Kinase Kd 6.54 CHEMBL
Death-associated protein kinase 3 Kinase Kd 5.89 CHEMBL
Tyrosine-protein kinase HCK Kinase Kd 5.55 CHEMBL
Protein kinase C beta type Kinase IC50 8.33 CHEMBL
Death-associated protein kinase 2 Kinase Kd 5.59 CHEMBL
Protein kinase C delta type Kinase Kd 8.44 CHEMBL
cAMP-dependent protein kinase catalytic subunit beta Kinase Kd 5.49 CHEMBL
Protein kinase C alpha type Kinase IC50 6.44 CHEMBL
Calcium/calmodulin-dependent protein kinase type II subunit delta Kinase Kd 5.34 CHEMBL
Protein kinase C gamma type Kinase IC50 6.52 CHEMBL
Calcium/calmodulin-dependent protein kinase type II subunit gamma Kinase Kd 5.11 CHEMBL
AP2-associated protein kinase 1 Kinase Kd 6.05 CHEMBL
Serine/threonine-protein kinase MARK2 Kinase Kd 5.64 CHEMBL
Ribosomal protein S6 kinase alpha-2 Kinase Kd 6.55 CHEMBL
Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform Kinase Kd 5.57 CHEMBL
Calcium/calmodulin-dependent protein kinase type II subunit alpha Kinase Kd 5.35 CHEMBL
Serine/threonine-protein kinase 10 Kinase Kd 6.55 CHEMBL
Protein kinase C epsilon type Kinase Kd 7.96 CHEMBL
Serine/threonine-protein kinase PLK4 Kinase Kd 6.43 CHEMBL
Aurora kinase C Kinase Kd 5.52 CHEMBL
Serine/threonine-protein kinase N1 Kinase Kd 6.46 CHEMBL
Protein kinase C theta type Kinase Kd 8.60 CHEMBL
TRAF2 and NCK-interacting protein kinase Kinase Kd 5.24 CHEMBL
BMP-2-inducible protein kinase Kinase Kd 6.37 CHEMBL
Serine/threonine-protein kinase pim-2 Kinase Kd 6.89 CHEMBL
Dual specificity protein kinase CLK1 Kinase Kd 6.04 CHEMBL
Dual specificity protein kinase CLK2 Kinase Kd 6.38 CHEMBL
Mitogen-activated protein kinase kinase kinase kinase 5 Kinase Kd 5.08 CHEMBL
Cyclin-G-associated kinase Kinase Kd 5.96 CHEMBL
Glycogen synthase kinase-3 beta Kinase Kd 5.59 CHEMBL
Calcium/calmodulin-dependent protein kinase type 1D Kinase Kd 5.59 CHEMBL
Cyclin-dependent kinase 16 Kinase Kd 5.59 CHEMBL
Serine/threonine-protein kinase 4 Kinase Kd 6.66 CHEMBL
Ribosomal protein S6 kinase alpha-5 Kinase Kd 5.89 CHEMBL
STE20-like serine/threonine-protein kinase Kinase Kd 6.40 CHEMBL
Dual specificity protein kinase CLK4 Kinase Kd 5.72 CHEMBL
Calcium/calmodulin-dependent protein kinase kinase 2 Kinase Kd 5.96 CHEMBL
Calcium/calmodulin-dependent protein kinase kinase 1 Kinase Kd 5.82 CHEMBL
3-phosphoinositide-dependent protein kinase 1 Kinase Kd 6.15 CHEMBL
Glycogen synthase kinase-3 alpha Kinase Kd 5.14 CHEMBL
Cyclin-dependent kinase 7 Kinase Kd 5.77 CHEMBL
Ribosomal protein S6 kinase beta-1 Kinase Kd 6.68 CHEMBL
Serine/threonine-protein kinase N2 Kinase Kd 5.82 CHEMBL
RAC-beta serine/threonine-protein kinase Kinase Kd 5.06 CHEMBL
Serine/threonine-protein kinase 3 Kinase Kd 6.02 CHEMBL
Ribosomal protein S6 kinase alpha-6 Kinase Kd 5.64 CHEMBL
NUAK family SNF1-like kinase 2 Kinase Kd 6.49 CHEMBL
Serine/threonine-protein kinase Chk1 Kinase Kd 6.27 CHEMBL
Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha Kinase Kd 6.16 CHEMBL
Phosphatidylinositol 5-phosphate 4-kinase type-2 beta Kinase Kd 6.08 CHEMBL
Serine/threonine-protein kinase RIO1 Kinase Kd 6.09 CHEMBL
Serine/threonine-protein kinase tousled-like 1 Kinase Kd 5.68 CHEMBL
Casein kinase II subunit alpha Kinase Kd 5.44 CHEMBL
Casein kinase II subunit alpha' Kinase Kd 5.47 CHEMBL
Dual specificity tyrosine-phosphorylation-regulated kinase 1B Kinase Kd 5.27 CHEMBL
Serine/threonine-protein kinase STK11 Kinase Kd 5.23 CHEMBL
MAP kinase-interacting serine/threonine-protein kinase 1 Kinase Kd 5.15 CHEMBL
Serine/threonine-protein kinase RIO3 Kinase Kd 6.19 CHEMBL
SRSF protein kinase 1 Kinase Kd 5.92 CHEMBL
SRSF protein kinase 2 Kinase Kd 5.96 CHEMBL
Serine/threonine-protein kinase 33 Kinase Kd 5.59 CHEMBL
Myotonin-protein kinase Kinase Kd 6.55 CHEMBL
RAC-gamma serine/threonine-protein kinase Kinase Kd 5.85 CHEMBL
Serine/threonine-protein kinase LATS1 Kinase Kd 5.59 CHEMBL
Serine/threonine-protein kinase LATS2 Kinase Kd 6.19 CHEMBL
Mitogen-activated protein kinase kinase kinase kinase 1 Kinase Kd 5.59 CHEMBL
NUAK family SNF1-like kinase 1 Kinase Kd 5.74 CHEMBL
Serine/threonine-protein kinase pim-3 Kinase Kd 7.92 CHEMBL
cAMP-dependent protein kinase catalytic subunit alpha Kinase Kd 5.27 CHEMBL
Mitogen-activated protein kinase kinase kinase kinase 3 Kinase Kd 5.08 CHEMBL
Dual specificity mitogen-activated protein kinase kinase 4 Kinase Kd 6.03 CHEMBL
Dual specificity mitogen-activated protein kinase kinase 6 Kinase Kd 5.41 CHEMBL
Mitogen-activated protein kinase kinase kinase 9 Kinase Kd 5.85 CHEMBL
Citron Rho-interacting kinase Kinase Kd 5.85 CHEMBL
Death-associated protein kinase 1 Kinase Kd 6.01 CHEMBL
Mitogen-activated protein kinase 15 Kinase Kd 7.06 CHEMBL
Serine/threonine-protein kinase D2 Kinase Kd 6.05 CHEMBL
cGMP-dependent protein kinase 2 Kinase Kd 5.51 CHEMBL
Proto-oncogene tyrosine-protein kinase ROS Kinase Kd 5.24 CHEMBL
Ribosomal protein S6 kinase alpha-1 Kinase Kd 6.40 CHEMBL
Ribosomal protein S6 kinase alpha-4 Kinase Kd 5.21 CHEMBL
Mitogen-activated protein kinase kinase kinase kinase 2 Kinase Kd 6.54 CHEMBL
Misshapen-like kinase 1 Kinase Kd 6.51 CHEMBL
Serine/threonine-protein kinase TBK1 Kinase Kd 6.01 CHEMBL
Cyclin-dependent kinase 4 Kinase Kd 6.55 CHEMBL
Serine/threonine-protein kinase Chk2 Kinase Kd 5.43 CHEMBL
Dual specificity tyrosine-phosphorylation-regulated kinase 1A Kinase Kd 6.60 CHEMBL
Rhodopsin kinase Kinase Kd 6.10 CHEMBL
G protein-coupled receptor kinase 4 Kinase Kd 6.23 CHEMBL
Homeodomain-interacting protein kinase 2 Kinase Kd 6.85 CHEMBL
Homeodomain-interacting protein kinase 3 Kinase Kd 7.11 CHEMBL
Homeodomain-interacting protein kinase 4 Kinase IC50 7 CHEMBL
Serine/threonine-protein kinase ICK Kinase Kd 6.62 CHEMBL
Mitogen-activated protein kinase kinase kinase 2 Kinase Kd 6.15 CHEMBL
Mitogen-activated protein kinase kinase kinase 3 Kinase Kd 6.77 CHEMBL
SRSF protein kinase 3 Kinase Kd 5.80 CHEMBL
Serine/threonine-protein kinase TAO1 Kinase Kd 5.74 CHEMBL
Serine/threonine-protein kinase TAO3 Kinase Kd 7.01 CHEMBL
Mitogen-activated protein kinase kinase kinase 19 Kinase Kd 7.32 CHEMBL
Homeodomain-interacting protein kinase 1 Kinase Kd 6.64 CHEMBL
Cyclin-dependent kinase-like 5 Kinase Kd 5.39 CHEMBL
Protein kinase C iota type Kinase Kd 5.85 CHEMBL
Serine/threonine-protein kinase PRP4 homolog Kinase Kd 5.80 CHEMBL
Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma Kinase Kd 6.29 CHEMBL
Serine/threonine-protein kinase Sgk3 Kinase Kd 5.85 CHEMBL
Serine/threonine-protein kinase TAO2 Kinase Kd 5.41 CHEMBL
Dual specificity mitogen-activated protein kinase kinase 5 Kinase Kd 5.96 CHEMBL
Leucine-rich repeat serine/threonine-protein kinase 2 Kinase Kd 5.01 CHEMBL
CaM kinase II Kinase IC50 5.21 CHEMBL
Uncharacterized protein FLJ45252 Unclassified Kd 5.88 CHEMBL
Serine/threonine-protein kinase 3 Kinase Kd 7.05 CHEMBL
Protein kinase C (PKC) Kinase IC50 6.49 CHEMBL

External reference:

IDSource
192050-59-2 SECONDARY_CAS_RN
4025269 VANDF
C1307704 UMLSCUI
CHEBI:748391 CHEBI
CHEMBL91829 ChEMBL_ID
DB11829 DRUGBANK_ID
C099154 MESH_SUPPLEMENTAL_RECORD_UI
5263 IUPHAR_LIGAND_ID
8108 INN_ID
721809WQCP UNII
153999 PUBCHEM_CID
LY4 PDB_CHEM_ID
721809WQCP INXIGHT DRUGS

Pharmaceutical products:

None