Identification
- Generic Name
- 7-Hydroxystaurosporine
- DrugBank Accession Number
- DB01933
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental, Investigational
- Structure
Structure for 7-Hydroxystaurosporine (DB01933)
- Weight
- Average: 482.5304
Monoisotopic: 482.19540534 - Chemical Formula
- C28H26N4O4
- Synonyms
- Not Available
- External IDs
- KRX-0601
- NSC-638850
- UCN 01
- UCN-01
- UCN01
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism U3-phosphoinositide-dependent protein kinase 1 Not Available Humans - 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
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAmbroxol The risk or severity of methemoglobinemia can be increased when 7-Hydroxystaurosporine is combined with Ambroxol. Articaine The risk or severity of methemoglobinemia can be increased when 7-Hydroxystaurosporine is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when 7-Hydroxystaurosporine is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when 7-Hydroxystaurosporine is combined with Benzyl alcohol. Bupivacaine The risk or severity of methemoglobinemia can be increased when 7-Hydroxystaurosporine is combined with Bupivacaine. Butacaine The risk or severity of methemoglobinemia can be increased when 7-Hydroxystaurosporine is combined with Butacaine. Butamben The risk or severity of methemoglobinemia can be increased when 7-Hydroxystaurosporine is combined with Butamben. Capsaicin The risk or severity of methemoglobinemia can be increased when 7-Hydroxystaurosporine is combined with Capsaicin. Chloroprocaine The risk or severity of methemoglobinemia can be increased when 7-Hydroxystaurosporine is combined with Chloroprocaine. Cinchocaine The risk or severity of methemoglobinemia can be increased when 7-Hydroxystaurosporine is combined with Cinchocaine. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as indolocarbazoles. These are polycyclic aromatic compounds containing an indole fused to a carbazole.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Indoles and derivatives
- Sub Class
- Carbazoles
- Direct Parent
- Indolocarbazoles
- Alternative Parents
- Pyrrolo[2,3-a]carbazoles / Pyrroloindoles / Isoindolones / Indoles / Oxanes / Benzenoids / Pyrroles / Heteroaromatic compounds / Secondary carboxylic acid amides / Amino acids and derivatives show 9 more
- Substituents
- Alkanolamine / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carboxamide group / Carboxylic acid derivative / Dialkyl ether / Ether show 22 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 7BU5H4V94A
- CAS number
- 112953-11-4
- InChI Key
- PBCZSGKMGDDXIJ-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)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14,19,21(26),22,24,27-nonaen-16-one
- SMILES
- [H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C4[C@@H](O)NC(=O)C4=C4C5=C(C=CC=C5)N2C4=C13
References
- General References
- Not Available
- External Links
- PubChem Compound
- 72271
- PubChem Substance
- 46508077
- ChemSpider
- 65225
- BindingDB
- 17054
- ChEMBL
- CHEMBL1236539
- ZINC
- ZINC000003814435
- Therapeutic Targets Database
- DCL001064
- PDBe Ligand
- UCN
- PDB Entries
- 1nvq / 1okz / 1pkd / 7oub
Clinical Trials
- Clinical Trials
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 0.0789 mg/mL ALOGPS logP 2.42 ALOGPS logP 3.41 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 10.8 Chemaxon pKa (Strongest Basic) 9.52 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 89.68 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 133.4 m3·mol-1 Chemaxon Polarizability 51.47 Å3 Chemaxon Number of Rings 8 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.608 Blood Brain Barrier - 0.9237 Caco-2 permeable - 0.5545 P-glycoprotein substrate Substrate 0.6904 P-glycoprotein inhibitor I Non-inhibitor 0.6076 P-glycoprotein inhibitor II Non-inhibitor 0.7074 Renal organic cation transporter Non-inhibitor 0.8762 CYP450 2C9 substrate Non-substrate 0.7188 CYP450 2D6 substrate Non-substrate 0.8225 CYP450 3A4 substrate Substrate 0.71 CYP450 1A2 substrate Non-inhibitor 0.7904 CYP450 2C9 inhibitor Non-inhibitor 0.8677 CYP450 2D6 inhibitor Non-inhibitor 0.8983 CYP450 2C19 inhibitor Non-inhibitor 0.825 CYP450 3A4 inhibitor Non-inhibitor 0.7542 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.7792 Ames test Non AMES toxic 0.6281 Carcinogenicity Non-carcinogens 0.8714 Biodegradation Not ready biodegradable 1.0 Rat acute toxicity 2.5979 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9993 hERG inhibition (predictor II) Non-inhibitor 0.8151
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- 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...
- Gene Name
- PDPK1
- Uniprot ID
- O15530
- Uniprot Name
- 3-phosphoinositide-dependent protein kinase 1
- Molecular Weight
- 63151.305 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52