Bryostatin 1

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Bryostatin 1
Accession Number
DB11752
Type
Small Molecule
Groups
Investigational
Description

Bryostatin 1 has been investigated for the treatment of HIV Infection and Alzheimer's Disease.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
37O2X55Y9E
CAS number
83314-01-6
Weight
Average: 905.044
Monoisotopic: 904.44565073
Chemical Formula
C47H68O17
InChI Key
MJQUEDHRCUIRLF-MEBWOBETSA-N
InChI
InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16-,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1
IUPAC Name
(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.1³,⁷.1¹¹,¹⁵]nonacos-8-en-12-yl (2E,4E)-octa-2,4-dienoate
SMILES
[H]C(CCC)=C([H])C([H])=C([H])C(=O)O[[email protected]@]1([H])\C(C[[email protected]@]2([H])C[[email protected]@]([H])(OC(=O)C[[email protected]]([H])(O)C[[email protected]]3([H])C[[email protected]]([H])(OC(C)=O)C(C)(C)[[email protected]](O)(C[[email protected]]4([H])C\C(C[[email protected]@]([H])(O4)\C([H])=C([H])/C(C)(C)[[email protected]]1(O)O2)=C(/[H])C(=O)OC)O3)[[email protected]@]([H])(C)O)=C(/[H])C(=O)OC

Pharmacology

Indication
Not Available
Structured Indications
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Bryostatin 1.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Bryostatin 1.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of Bryostatin 1.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Bryostatin 1.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Bryostatin 1.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Bryostatin 1.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Bryostatin 1.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Bryostatin 1.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Bryostatin 1.Approved
Digoxin Immune Fab (Ovine)Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of Bryostatin 1.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Bryostatin 1.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Bryostatin 1.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Bryostatin 1.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Bryostatin 1.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Bryostatin 1.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Bryostatin 1.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Bryostatin 1.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Bryostatin 1.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Bryostatin 1.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Bryostatin 1.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
22524140
PubChem Substance
347828109
ChemSpider
4444327

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAIDS-Related Diffuse Large Cell Lymphoma / AIDS-Related Diffuse Mixed Cell Lymphoma / AIDS-related Peripheral/Systemic Lymphoma / AIDS-related Small Noncleaved Cell Lymphoma1
1CompletedTreatmentAccelerated Phase Chronic Myelogenous Leukemia / Adult Acute Myeloid Leukemia With 11q23 (MLL) Abnormalities / Adult Acute Myeloid Leukemia With Del(5q) / Adult Acute Myeloid Leukemia With Inv(16)(p13;q22) / Adult Acute Myeloid Leukemia With T(15;17)(q22;q12) / Adult Acute Myeloid Leukemia With T(16;16)(p13;q22) / Adult Acute Myeloid Leukemia With T(8;21)(q22;q22) / Blastic Phase Chronic Myelogenous Leukemia / Chronic Myelomonocytic Leukemia / Chronic Phase Chronic Myelogenous Leukemia / Paroxysmal Nocturnal Haemoglobinuria (PNH) / Previously Treated Myelodysplastic Syndromes / Recurrent Adult Acute Myeloid Leukemia / Refractory Anemia / Refractory Anemia With Ringed Sideroblasts / Relapsing Chronic Myelogenous Leukemia / Thrombocytopenias / Untreated Adult Acute Myeloid Leukemia1
1CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections1
1CompletedTreatmentLeukemias1
1CompletedTreatmentLeukemias / Malignant Lymphomas2
1CompletedTreatmentMalignant Lymphomas / Small Intestine Cancer / Unspecified Adult Solid Tumor, Protocol Specific1
1CompletedTreatmentMelanoma (Skin) / Renal Cancers1
1CompletedTreatmentRecurrent Adult Burkitt Lymphoma / Recurrent Adult Diffuse Large Cell Lymphoma / Recurrent Adult Diffuse Mixed Cell Lymphoma / Recurrent Adult Immunoblastic Large Cell Lymphoma / Recurrent Adult Lymphoblastic Lymphoma / Recurrent Grade 3 Follicular Lymphoma / Recurrent Mantle Cell Lymphoma / Refractory Chronic Lymphocytic Leukemia / Refractory Multiple Myeloma / Stage III Multiple Myeloma1
1CompletedTreatmentRecurrent Melanoma / Recurrent Renal Cell Cancer / Stage IV Melanoma / Stage IV Renal Cell Cancer / Unspecified Adult Solid Tumor, Protocol Specific1
1CompletedTreatmentUnspecified Adult Solid Tumor, Protocol Specific4
1, 2TerminatedTreatmentAlzheimer's Disease (AD)1
2Active Not RecruitingTreatmentAlzheimer's Disease (AD)1
2CompletedTreatmentAcinar Cell Adenocarcinoma of the Pancreas / Duct Cell Adenocarcinoma of the Pancreas / Recurrent Pancreatic Cancer / Stage III Pancreatic Cancer / Stage IV Pancreatic Cancer1
2CompletedTreatmentAcute Myelogenous Leukaemia (AML) / Myelodysplastic Syndrome1
2CompletedTreatmentCancer, Breast1
2CompletedTreatmentCancer, Ovarian1
2CompletedTreatmentCervical Cancers1
2CompletedTreatmentColorectal Cancers1
2CompletedTreatmentEsophageal Cancers / Malignant Neoplasm of Stomach1
2CompletedTreatmentExtranodal Marginal Zone B-cell Lymphoma of Mucosa-associated Lymphoid Tissue / Nodal marginal zone B-cell lymphomas / Recurrent Adult Diffuse Large Cell Lymphoma / Recurrent Adult Diffuse Mixed Cell Lymphoma / Recurrent Adult Diffuse Small Cleaved Cell Lymphoma / Recurrent Grade 1 Follicular Lymphoma / Recurrent Grade 2 Follicular Lymphoma / Recurrent Grade 3 Follicular Lymphoma / Recurrent Mantle Cell Lymphoma / Recurrent Marginal Zone Lymphoma / Recurrent Small Lymphocytic Lymphoma / Splenic Marginal Zone Lymphoma1
2CompletedTreatmentFallopian Tube Cancer / Primary Peritoneal Cavity Cancer / Recurrent Ovarian Epithelial Cancer / Stage III Ovarian Epithelial Cancer / Stage IV Ovarian Epithelial Cancer1
2CompletedTreatmentHead and Neck Carcinoma1
2CompletedTreatmentLeukemias1
2CompletedTreatmentLeukemias / Malignant Lymphomas2
2CompletedTreatmentLeukemias / Myelodysplastic Syndromes1
2CompletedTreatmentLung Cancers1
2CompletedTreatmentMalignant Lymphomas2
2CompletedTreatmentMultiple Myeloma and Plasma Cell Neoplasm1
2CompletedTreatmentProstate Cancer1
2CompletedTreatmentRecurrent Renal Cell Cancer / Stage III Renal Cell Cancer / Stage IV Renal Cell Cancer1
2CompletedTreatmentRenal Cancers2
2CompletedTreatmentStage III Gastric Cancer / Stage IV Gastric Cancer1
2Unknown StatusTreatmentAlzheimer's Disease (AD)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 Solubility0.00595 mg/mLALOGPS
logP2.86ALOGPS
logP5.04ChemAxon
logS-5.2ALOGPS
pKa (Strongest Acidic)10.59ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area240.11 Å2ChemAxon
Rotatable Bond Count13ChemAxon
Refractivity233.05 m3·mol-1ChemAxon
Polarizability96.08 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Classification
Not classified

Drug created on October 20, 2016 14:45 / Updated on November 09, 2017 04:56