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

Identification

Generic Name
Tozuleristide
DrugBank Accession Number
DB15375
Background

Tozuleristide is under investigation in clinical trial NCT02464332 (Safety Study of BLZ-100 in Adult Subjects With Sarcoma Undergoing Surgery).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 4765.68
Monoisotopic: 4761.894916091
Chemical Formula
C203H296N58O52S12
Synonyms
  • Tozuleristide
External IDs
  • BLZ-100

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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Avoid life-threatening adverse drug events & improve clinical decision support.
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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
Adverseeffects
Improve decision support & research outcomes
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
835UH424TU
CAS number
1673565-40-6
InChI Key
LWXYOERUKGQNKQ-UHFFFAOYSA-N
InChI
InChI=1S/C203H296N58O52S12/c1-107(2)85-130-178(291)253-139(185(298)240-129(196(309)310)50-36-76-223-201(215)216)100-319-317-98-137-171(284)225-93-154(268)224-94-155(269)231-120(46-32-72-219-197(207)208)168(281)226-95-156(270)232-121(47-33-73-220-198(209)210)169(282)227-96-157(271)233-122(45-27-28-71-218-153(267)55-22-17-29-77-258-145-64-58-113-41-23-25-43-117(113)162(145)202(6,7)149(258)53-20-14-13-15-21-54-150-203(8,9)163-118-44-26-24-42-114(118)59-65-146(163)259(150)78-30-31-84-325(311,312)313)173(286)250-141-102-322-324-105-144-189(302)243-132(86-111-39-18-16-19-40-111)183(296)256-165(110(5)263)194(307)257-164(109(4)262)193(306)247-136(91-161(277)278)181(294)244-133(88-115-92-217-106-229-115)179(292)236-125(62-66-151(205)265)176(289)237-127(69-82-315-11)172(285)230-108(3)166(279)234-123(48-34-74-221-199(211)212)174(287)235-124(49-35-75-222-200(213)214)175(288)251-142(103-321-320-101-140(186(299)241-130)252-177(290)126(63-67-152(206)266)238-191(304)147-51-37-79-260(147)158(272)97-228-170(283)131(242-187(141)300)87-112-56-60-116(264)61-57-112)188(301)246-134(89-159(273)274)180(293)245-135(90-160(275)276)182(295)254-143(190(303)249-137)104-323-318-99-138(248-167(280)119(204)68-81-314-10)184(297)239-128(70-83-316-12)195(308)261-80-38-52-148(261)192(305)255-144/h13-16,18-21,23-26,39-44,53-54,56-61,64-65,92,106-110,119-144,147-148,164-165,262-263H,17,22,27-38,45-52,55,62-63,66-91,93-105,204H2,1-12H3,(H64-,205,206,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,236,237,238,239,240,241,242,243,244,245,246,247,248,249,250,251,252,253,254,255,256,257,264,265,266,267,268,269,270,271,273,274,275,276,277,278,279,280,281,282,283,284,285,286,287,288,289,290,291,292,293,294,295,296,297,298,299,300,301,302,303,304,305,306,307,309,310,311,312,313)
IUPAC Name
2-[(1E,3E,5E)-7-[(2Z)-3-[5-({4-[(1R,4R,9R,12S,18S,21R,24S,27S,30S,33S,36S,39S,42S,45S,48S,51S,54R,59R,62S,65S,74S,77R,80S,86S,92S,105R,108S,117S,120S)-9-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-24-benzyl-105-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}-48,51,86,92-tetrakis(3-carbamimidamidopropyl)-39,62-bis(2-carbamoylethyl)-33,117,120-tris(carboxymethyl)-27,30-bis(1-hydroxyethyl)-74-[(4-hydroxyphenyl)methyl]-36-[(1H-imidazol-4-yl)methyl]-45-methyl-108-(2-methylpropyl)-12,42-bis[2-(methylsulfanyl)ethyl]-3,10,13,19,22,25,28,31,34,37,40,43,46,49,52,61,64,70,73,76,79,82,85,88,91,94,97,100,107,110,115,118,121-tritriacontaoxo-6,7,56,57,102,103,112,113-octathia-2,11,14,20,23,26,29,32,35,38,41,44,47,50,53,60,63,69,72,75,78,81,84,87,90,93,96,99,106,109,116,119,122-tritriacontaazahexacyclo[57.41.10.8^{4,54}.4^{21,77}.0^{14,18}.0^{65,69}]122n-80-yl]butyl}carbamoyl)pentyl]-1,1-dimethyl-1H,2H,3H-benzo[e]indol-2-ylidene]hepta-1,3,5-trien-1-yl]-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium
SMILES
CSCCC(N)C(=O)NC1CSSCC2NC(=O)C(CC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C3CSSCC4NC(=O)C(CCC(N)=O)NC(=O)C5CCCN5C(=O)CNC(=O)C(CC5=CC=C(O)C=C5)NC(=O)C(CSSCC(NC(=O)C5CCCN5C(=O)C(CCSC)NC1=O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(CC1=CNC=N1)C(=O)NC(CCC(N)=O)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)N3)NC(=O)C(CCCCNC(=O)CCCCCN1\C(=C/C=C/C=C/C=C/C3=[N+](CCCCS([O-])(=O)=O)C5=C(C6=CC=CC=C6C=C5)C3(C)C)C(C)(C)C3=C1C=CC1=CC=CC=C31)NC(=O)CNC(=O)C(CCCNC(N)=N)NC(=O)CNC(=O)C(CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)C(CSSCC(NC(=O)C(CC(C)C)NC4=O)C(=O)NC(CCCNC(N)=N)C(O)=O)NC2=O

References

General References
Not Available
Not Available

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentTumors of the Central Nervous System1
2, 3RecruitingOtherCentral Nervous System Tumor, Pediatric1
1CompletedNot AvailableGliomas1
1CompletedOtherTumors of the Central Nervous System1
1CompletedOtherTumors, Breast1
1CompletedTreatmentSkin Neoplasms1
1WithdrawnNot AvailableSoft Tissue Sarcoma (STS)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
logP-24ChemAxon
pKa (Strongest Acidic)-0.73ChemAxon
pKa (Strongest Basic)12.65ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count70ChemAxon
Hydrogen Donor Count60ChemAxon
Polar Surface Area1753.74 Å2ChemAxon
Rotatable Bond Count76ChemAxon
Refractivity1274.53 m3·mol-1ChemAxon
Polarizability484.88 Å3ChemAxon
Number of Rings15ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at May 20, 2019 15:21 / Updated at February 21, 2021 18:55