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Identification
Name7-Hydroxystaurosporine
Accession NumberDB01933  (EXPT03167)
TypeSmall Molecule
GroupsExperimental
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
External Identifiers
  • KRX-0601
  • NSC-638850
  • UCN-01
Approved Prescription ProductsNot Available
Approved Generic Prescription ProductsNot Available
Approved Over the Counter ProductsNot Available
Unapproved/Other Products Not Available
International BrandsNot Available
Brand mixturesNot Available
SaltsNot Available
Categories
UNII7BU5H4V94A
CAS number112953-11-4
WeightAverage: 482.5304
Monoisotopic: 482.19540534
Chemical FormulaC28H26N4O4
InChI KeyPBCZSGKMGDDXIJ-HQCWYSJUSA-N
InChI
InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1
IUPAC Name
(2S,3R,4R,6R,18R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8,10,12,14,16,19,21,23,25,27-decaene-16,18-diol
SMILES
[H][C@]1(O)N=C(O)C2=C3C4=CC=CC=C4N4C3=C3N(C5=CC=CC=C5C3=C12)[C@@]1(C)O[C@]4([H])C[C@@]([H])(NC)[C@@]1([H])OC
Pharmacology
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of action
TargetKindPharmacological actionActionsOrganismUniProt ID
3-phosphoinositide-dependent protein kinase 1ProteinunknownNot AvailableHumanO15530 details
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
SNP Mediated EffectsNot Available
SNP Mediated Adverse Drug ReactionsNot Available
Interactions
Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of 7-Hydroxystaurosporine.Approved
AnvirzelAnvirzel may decrease the cardiotoxic activities of 7-Hydroxystaurosporine.Investigational
BevacizumabBevacizumab may increase the cardiotoxic activities of 7-Hydroxystaurosporine.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with 7-Hydroxystaurosporine.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of 7-Hydroxystaurosporine.Approved, Investigational
DeslanosideDeslanoside may decrease the cardiotoxic activities of 7-Hydroxystaurosporine.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of 7-Hydroxystaurosporine.Approved
DigoxinDigoxin may decrease the cardiotoxic activities of 7-Hydroxystaurosporine.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with 7-Hydroxystaurosporine.Approved, Investigational
OuabainOuabain may decrease the cardiotoxic activities of 7-Hydroxystaurosporine.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with 7-Hydroxystaurosporine.Approved, Vet Approved
TrastuzumabTrastuzumab may increase the cardiotoxic activities of 7-Hydroxystaurosporine.Approved, Investigational
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB Entries
FDA labelNot Available
MSDSNot Available
ADMET
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.608
Blood Brain Barrier-0.9237
Caco-2 permeable-0.5545
P-glycoprotein substrateSubstrate0.6904
P-glycoprotein inhibitor INon-inhibitor0.6076
P-glycoprotein inhibitor IINon-inhibitor0.7074
Renal organic cation transporterNon-inhibitor0.8762
CYP450 2C9 substrateNon-substrate0.7188
CYP450 2D6 substrateNon-substrate0.8225
CYP450 3A4 substrateSubstrate0.71
CYP450 1A2 substrateNon-inhibitor0.7904
CYP450 2C9 inhibitorNon-inhibitor0.8677
CYP450 2D6 inhibitorNon-inhibitor0.8983
CYP450 2C19 inhibitorNon-inhibitor0.825
CYP450 3A4 inhibitorNon-inhibitor0.7542
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.7792
Ames testNon AMES toxic0.6281
CarcinogenicityNon-carcinogens0.8714
BiodegradationNot ready biodegradable1.0
Rat acute toxicity2.5979 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9993
hERG inhibition (predictor II)Non-inhibitor0.8151
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397 )
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage formsNot Available
PricesNot Available
PatentsNot Available
Properties
StateSolid
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.0592 mg/mLALOGPS
logP2.78ALOGPS
logP2.35ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)7.42ChemAxon
pKa (Strongest Basic)9.56ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area93.17 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity133.92 m3·mol-1ChemAxon
Polarizability51.41 Å3ChemAxon
Number of Rings8ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Mass Spec (NIST)Not Available
SpectraNot Available
Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as indolocarbazoles. These are polycyclic aromatic compounds containing an indole fused to a carbazole.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassIndoles and derivatives
Sub ClassCarbazoles
Direct ParentIndolocarbazoles
Alternative Parents
Substituents
  • Indolocarbazole
  • Pyrroloindole
  • Isoindolone
  • Isoindole or derivatives
  • Isoindoline
  • Indole
  • Benzenoid
  • Oxane
  • Heteroaromatic compound
  • Pyrrole
  • Secondary carboxylic acid amide
  • Lactam
  • Carboxamide group
  • Oxacycle
  • Azacycle
  • Secondary amine
  • Ether
  • Secondary aliphatic amine
  • Dialkyl ether
  • Carboxylic acid derivative
  • Alkanolamine
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Amine
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available

Targets

Kind
Protein
Organism
Human
Pharmacological action
unknown
General Function:
Protein serine/threonine kinase activity
Specific Function:
Serine/threonine kinase which acts as a master kinase, phosphorylating and activating a subgroup of the AGC family of protein kinases. Its targets include: protein kinase B (PKB/AKT1, PKB/AKT2, PKB/AKT3), p70 ribosomal protein S6 kinase (RPS6KB1), p90 ribosomal protein S6 kinase (RPS6KA1, RPS6KA2 and RPS6KA3), cyclic AMP-dependent protein kinase (PRKACA), protein kinase C (PRKCD and PRKCZ), ser...
Gene Name:
PDPK1
Uniprot ID:
O15530
Molecular Weight:
63151.305 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
Comments
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Drug created on June 13, 2005 07:24 / Updated on August 17, 2016 12:23