This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Filanesib
- DrugBank Accession Number
- DB06040
- Background
Filanesib is a potent Kinesin Spindle Protein (KSP) inhibitor that caused marked tumor regression in preclinical models of human solid tumors and human leukemias, often leading to durable responses.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Filanesib (DB06040)
- Weight
- Average: 420.48
Monoisotopic: 420.143153464 - Chemical Formula
- C20H22F2N4O2S
- Synonyms
- Filanesib
- External IDs
- ARRY-520
Pharmacology
- Indication
Investigated for use/treatment in cancer/tumors (unspecified).
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This compound is a highly potent KSP inhibitor that demonstrates subnanomolar potency in both enzymatic and cellular assays and causes mitotic arrest, leading to cell death or apoptosis of the immensely proliferating cancer cells.
- Mechanism of action
KSP has been identified as an attractive drug target against cancer. Cancer results when normal cellular processes go awry and lead to a massive, uncontrolled cell division, proliferation, and growth. Inhibitors of KSP cause mitotic arrest by preventing the formation of bipolar spindle. The monopolar spindle thus prevents the separation of centrosomes, organizes the microtubules from a single locus in the cell, and aligns the chromosomes around this locus. This compound is a highly potent KSP inhibitor that demonstrates subnanomolar potency in both enzymatic and cellular assays and causes mitotic arrest, leading to cell death or apoptosis of the immensely proliferating cancer cells.
Target Actions Organism UKinesin-like protein KIF11 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
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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 Filanesib is combined with Ambroxol. Articaine The risk or severity of methemoglobinemia can be increased when Filanesib is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when Filanesib is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when Filanesib is combined with Benzyl alcohol. Bupivacaine The risk or severity of methemoglobinemia can be increased when Filanesib is combined with Bupivacaine. Butacaine The risk or severity of methemoglobinemia can be increased when Filanesib is combined with Butacaine. Butamben The risk or severity of methemoglobinemia can be increased when Filanesib is combined with Butamben. Capsaicin The risk or severity of methemoglobinemia can be increased when Filanesib is combined with Capsaicin. Chloroprocaine The risk or severity of methemoglobinemia can be increased when Filanesib is combined with Chloroprocaine. Cinchocaine The risk or severity of methemoglobinemia can be increased when Filanesib is combined with Cinchocaine. 
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- Not Available
Products
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Ingredient UNII CAS InChI Key Filanesib Hydrochloride N98S79PF2I 1385020-40-5 CTAIFVHCDONNPS-BDQAORGHSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Phenylbutylamines
- Direct Parent
- Phenylbutylamines
- Alternative Parents
- Fluorobenzenes / Aralkylamines / Aryl fluorides / Thiadiazolines / Semicarbazides / Azacyclic compounds / Organofluorides / Organic oxides / Monoalkylamines / Hydrocarbon derivatives show 1 more
- Substituents
- Amine / Aralkylamine / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Carbonyl group / Fluorobenzene / Halobenzene / Hydrocarbon derivative show 13 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8A49OSO368
- CAS number
- 885060-09-3
- InChI Key
- LLXISKGBWFTGEI-FQEVSTJZSA-N
- InChI
- InChI=1S/C20H22F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13H,6,11-12,23H2,1-2H3/t20-/m0/s1
- IUPAC Name
- (2S)-2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole-3-carboxamide
- SMILES
- CON(C)C(=O)N1N=C(S[C@@]1(CCCN)C1=CC=CC=C1)C1=CC(F)=CC=C1F
References
- General References
- Bayes M, Rabasseda X, Prous JR: Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2007 Nov;29(9):625-55. [Article]
- External Links
- ChemSpider
- 25069697
- BindingDB
- 50431893
- ChEMBL
- CHEMBL2347655
- ZINC
- ZINC000043204022
- PDBe Ligand
- GCE
- Wikipedia
- Filanesib
- PDB Entries
- 6hkx / 6hky
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Advanced Multiple Myeloma 2 1 Completed Treatment Advanced Solid Tumors 1 1 Completed Treatment Multiple Myeloma, Plasma Cell Leukemia 1 1 Completed Treatment Plasma Cell Leukemia / Recurrent Plasma Cell Myeloma / Refractory Plasma Cell Myeloma 1 1, 2 Completed Treatment Acute Myeloid Leukemia / Advanced Myelodysplastic Syndromes 1 1, 2 Completed Treatment Multiple Myeloma (MM) 1 1, 2 Completed Treatment Multiple Myeloma (MM) / Plasma Cell Leukemia 1
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 0.0045 mg/mL ALOGPS logP 3.31 ALOGPS logP 4.08 Chemaxon logS -5 ALOGPS pKa (Strongest Basic) 9.9 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 71.16 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 109.66 m3·mol-1 Chemaxon Polarizability 42.09 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
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 kinase binding
- Specific Function
- Motor protein required for establishing a bipolar spindle. Blocking of KIF11 prevents centrosome migration and arrest cells in mitosis with monoastral microtubule arrays.
- Gene Name
- KIF11
- Uniprot ID
- P52732
- Uniprot Name
- Kinesin-like protein KIF11
- Molecular Weight
- 119158.025 Da
References
- 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. [Article]
Drug created at November 18, 2007 18:29 / Updated at January 14, 2023 19:03