Tapotoclax
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Identification
- Generic Name
- Tapotoclax
- DrugBank Accession Number
- DB17166
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 613.21
Monoisotopic: 612.2424713 - Chemical Formula
- C33H41ClN2O5S
- Synonyms
- MCL-1 inhibitor AMG 176
- MCL-1 inhibitor AMG-176
- External IDs
- AMG 176
- AMG-176
- AMG176
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- 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
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 97W7N9T08G
- CAS number
- 1883727-34-1
- InChI Key
- JQNINBDKGLWYMU-GEAQBIRJSA-N
- InChI
- InChI=1S/C33H41ClN2O5S/c1-21-6-4-8-30(40-3)27-12-9-25(27)18-36-19-33(15-5-7-23-16-26(34)11-13-28(23)33)20-41-31-14-10-24(17-29(31)36)32(37)35-42(38,39)22(21)2/h4,8,10-11,13-14,16-17,21-22,25,27,30H,5-7,9,12,15,18-20H2,1-3H3,(H,35,37)/b8-4+/t21-,22+,25-,27+,30-,33-/m0/s1
- IUPAC Name
- (1S,3'R,6'R,7'S,8'E,11'S,12'R)-6-chloro-7'-methoxy-11',12'-dimethyl-3,4-dihydro-2H-20'-oxa-13'lambda6-thia-1',14'-diazaspiro[naphthalene-1,22'-tetracyclo[14.7.2.0^{3,6}.0^{19,24}]pentacosane]-8',16'(25'),17',19'(24')-tetraene-13',13',15'-trione
- SMILES
- CO[C@H]1\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)C2=CC3=C(OC[C@]4(CCCC5=C4C=CC(Cl)=C5)CN3C[C@@H]3CC[C@@H]13)C=C2
References
- General References
- Not Available
- External Links
- ChemSpider
- 71060718
- BindingDB
- 50514200
- ChEMBL
- CHEMBL4446378
- PDBe Ligand
- VF8
- PDB Entries
- 8av9
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Active Not Recruiting Treatment Relapsed or Refractory Acute Myeloid Leukemia (AML) / Relapsed/Refractory Multiple Myeloma (RRMM) 1 1 Completed Treatment Chronic Myelomonocytic Leukemia / Higher Risk Myelodysplastic Syndrome (MDS) 1 1 Terminated Treatment Acute Myeloid Leukemia / Diffuse Large B-Cell Lymphoma (DLBCL) / Non-Hodgkin's Lymphoma (NHL) 1
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 0.000101 mg/mL ALOGPS logP 5.52 ALOGPS logP 5.95 Chemaxon logS -6.8 ALOGPS pKa (Strongest Acidic) 4.28 Chemaxon pKa (Strongest Basic) 3.63 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 84.94 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 167.8 m3·mol-1 Chemaxon Polarizability 66.78 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 22, 2022 21:29 / Updated at December 01, 2022 11:35