NAV

Tapotoclax

Identification

Generic Name
Tapotoclax
DrugBank Accession Number
DB17166
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
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
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
ChemSpider
71060718
BindingDB
50514200
ChEMBL
CHEMBL4446378
PDBe Ligand
VF8
PDB Entries
8av9

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentRelapsed or Refractory Acute Myeloid Leukemia (AML) / Relapsed/Refractory Multiple Myeloma (RRMM)1
1CompletedTreatmentChronic Myelomonocytic Leukemia / Higher Risk Myelodysplastic Syndrome (MDS)1
1TerminatedTreatmentAcute 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
PropertyValueSource
Water Solubility0.000101 mg/mLALOGPS
logP5.52ALOGPS
logP5.95Chemaxon
logS-6.8ALOGPS
pKa (Strongest Acidic)4.28Chemaxon
pKa (Strongest Basic)3.63Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area84.94 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity167.8 m3·mol-1Chemaxon
Polarizability66.78 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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