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

Identification
NameBryostatin 1
Accession NumberDB11752
TypeSmall Molecule
GroupsInvestigational
Description

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

Structure
Thumb
SynonymsNot Available
External IDs Not Available
Product Ingredients Not Available
ProductsNot Available
International BrandsNot Available
Brand mixturesNot Available
Categories
UNII37O2X55Y9E
CAS number83314-01-6
WeightAverage: 905.044
Monoisotopic: 904.44565073
Chemical FormulaC47H68O17
InChI KeyMJQUEDHRCUIRLF-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
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
Pharmacogenomic Effects/ADRs Not Available
Interactions
Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Bryostatin 1.Approved
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
DeslanosideDeslanoside may decrease the cardiotoxic activities of Bryostatin 1.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Bryostatin 1.Approved
DigoxinDigoxin 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
OleandrinAnvirzel may decrease the cardiotoxic activities of Bryostatin 1.Experimental
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
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Bryostatin 1.Approved, Investigational
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
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
Properties
StateNot Available
Experimental PropertiesNot 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 featuresNot Available
Spectra
Mass Spec (NIST)Not Available
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassPentacarboxylic acids and derivatives
Direct ParentPentacarboxylic acids and derivatives
Alternative ParentsMacrolides and analogues / Fatty acid esters / Oxanes / Methyl esters / Enoate esters / Acetate salts / Secondary alcohols / Lactones / Hemiacetals / Polyols
SubstituentsPentacarboxylic acid or derivatives / Macrolide / Fatty acid ester / Oxane / Fatty acyl / Methyl ester / Enoate ester / Alpha,beta-unsaturated carboxylic ester / Acetate salt / Secondary alcohol
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Drug created on October 20, 2016 14:45 / Updated on September 01, 2017 12:12