BMS-214662
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
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Identification
- Generic Name
- BMS-214662
- DrugBank Accession Number
- DB12234
- Background
BMS-214662 has been used in trials studying the treatment of Childhood Myelodysplastic Syndromes, Refractory Anemia With Excess Blasts, Recurrent Adult Acute Myeloid Leukemia, Relapsing Chronic Myelogenous Leukemia, and Adult Acute Promyelocytic Leukemia (M3), among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 489.612
Monoisotopic: 489.129316385 - Chemical Formula
- C25H23N5O2S2
- Synonyms
- Not Available
- External IDs
- BMS 214662
- BMS-214662
- BMS214662
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
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AProtein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha modulatorHumans AProtein farnesyltransferase subunit beta modulatorHumans - 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. View sample adverse effects data in our new Data Library!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.Not Available
- Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key BMS-214662 hydrochloride 2ZRT8VWQ9J 195981-08-9 LBPFLNDUCNNGPS-GNAFDRTKSA-N BMS-214662 mesylate CY68RYB4QI 474010-58-7 GQZSWQUMYWWKTN-GNAFDRTKSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzodiazepines
- Sub Class
- 1,4-benzodiazepines
- Direct Parent
- 1,4-benzodiazepines
- Alternative Parents
- Dialkylarylamines / Aralkylamines / Organosulfonamides / Benzene and substituted derivatives / Thiophenes / Sulfonyls / Imidazoles / Heteroaromatic compounds / Nitriles / Azacyclic compounds show 3 more
- Substituents
- 1,4-benzodiazepine / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Carbonitrile / Dialkylarylamine / Heteroaromatic compound show 17 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- L2U9GFD244
- CAS number
- 195987-41-8
- InChI Key
- OLCWFLWEHWLBTO-HSZRJFAPSA-N
- InChI
- InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1
- IUPAC Name
- (3R)-3-benzyl-1-[(1H-imidazol-5-yl)methyl]-4-(thiophene-2-sulfonyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile
- SMILES
- [H][C@@]1(CC2=CC=CC=C2)CN(CC2=CN=CN2)C2=C(CN1S(=O)(=O)C1=CC=CS1)C=C(C=C2)C#N
References
- General References
- Not Available
- External Links
- PubChem Compound
- 448545
- PubChem Substance
- 347828513
- ChemSpider
- 395310
- BindingDB
- 50092365
- ChEMBL
- CHEMBL351706
- ZINC
- ZINC000003925649
- PDBe Ligand
- BMV
- PDB Entries
- 1sa5
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data1 Completed Treatment Adult Acute Promyelocytic Leukemia (M3) / Blast phase Chronic myeloid leukemia / Childhood Myelodysplastic Syndromes / Previously treated Myelodysplastic Syndromes (MDS) / Recurrent Adult Acute Lymphoblastic Leukemia (ALL) / Recurrent Adult Acute Myeloid Leukemia / Recurrent Childhood Acute Lymphoblastic Leukemia / Recurrent Childhood Acute Myeloid Leukemia / Refractory Anemia With Excess Blasts in Transformation / Refractory Anemia With Excess of Blasts (RAEB) / Relapsing Chronic Myelogenous Leukemia 1 somestatus stop reason just information to hide 1 Completed Treatment Unspecified Adult Solid Tumor, Protocol Specific 4 somestatus stop reason just information to hide 1 Completed Treatment Unspecified Adult Solid Tumor, Protocol Specific / Unspecified Childhood Solid Tumor, Protocol Specific 1 somestatus stop reason just information to hide
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0163 mg/mL ALOGPS logP 2.86 ALOGPS logP 4.09 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 12.61 Chemaxon pKa (Strongest Basic) 6.61 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 93.09 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 133.55 m3·mol-1 Chemaxon Polarizability 50.71 Å3 Chemaxon Number of Rings 5 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
- 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 splash10-0006-0000900000-7b7ce00100d19f13950f Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-1100900000-2e2c15b173fc2a30d6e0 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0000900000-c92dfa06431c403d7901 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0001900000-d7d4b02fa5d53adebeac Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-01ox-7556900000-ad33a1cf270025b59d00 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-03dj-1143900000-0559b83ce421832c813b Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 216.0070876 predictedDarkChem Lite v0.1.0 [M-H]- 196.08559 predictedDeepCCS 1.0 (2019) [M+H]+ 216.6471876 predictedDarkChem Lite v0.1.0 [M+H]+ 198.44357 predictedDeepCCS 1.0 (2019) [M+Na]+ 216.3227876 predictedDarkChem Lite v0.1.0 [M+Na]+ 205.38629 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Modulator
- General Function
- Essential subunit of both the farnesyltransferase and the geranylgeranyltransferase complex. Contributes to the transfer of a farnesyl or geranylgeranyl moiety from farnesyl or geranylgeranyl diphosphate to a cysteine at the fourth position from the C-terminus of several proteins having the C-terminal sequence Cys-aliphatic-aliphatic-X. May positively regulate neuromuscular junction development downstream of MUSK via its function in RAC1 prenylation and activation
- Specific Function
- alpha-tubulin binding
- Gene Name
- FNTA
- Uniprot ID
- P49354
- Uniprot Name
- Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha
- Molecular Weight
- 44408.32 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
2. DetailsProtein farnesyltransferase subunit beta
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Modulator
- General Function
- Essential subunit of the farnesyltransferase complex. Catalyzes the transfer of a farnesyl moiety from farnesyl diphosphate to a cysteine at the fourth position from the C-terminus of several proteins having the C-terminal sequence Cys-aliphatic-aliphatic-X
- Specific Function
- protein farnesyltransferase activity
- Gene Name
- FNTB
- Uniprot ID
- P49356
- Uniprot Name
- Protein farnesyltransferase subunit beta
- Molecular Weight
- 48773.2 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at October 20, 2016 21:41 / Updated at August 26, 2024 19:22