NAV

CBP-501

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

Identification

Generic Name
CBP-501
DrugBank Accession Number
DB17277
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 1929.1
Monoisotopic: 1927.949364399
Chemical Formula
C86H122F5N29O17
Synonyms
  • D-arginine, 4-benzoyl-d-phenylalanyl-d-seryl-d-tryptophyl-d-seryl-2,3,4,5,6-pentafluoro-d-phenylalanyl-3-cyclohexyl-d-alanyl-d-arginyl-d-arginyl-d-arginyl-d-glutaminyl-d-arginyl-
External IDs
  • CBP 501
  • CBP-501
  • CBP501
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
CBP-501 acetate8HSP55450P1829512-40-4GKMPTIBZVGZJDN-RJLNLWLESA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
XH2662798I
CAS number
565434-85-7
InChI Key
DEZJGRPRBZSAKI-KMGSDFBDSA-N
InChI
InChI=1S/C86H122F5N29O17/c87-64-49(65(88)67(90)68(91)66(64)89)39-60(118-80(135)62(42-122)120-77(132)59(38-47-40-109-51-19-8-7-18-48(47)51)117-79(134)61(41-121)119-70(125)50(92)36-44-25-27-46(28-26-44)69(124)45-16-5-2-6-17-45)78(133)116-58(37-43-14-3-1-4-15-43)76(131)113-54(22-11-33-106-84(98)99)72(127)110-52(20-9-31-104-82(94)95)71(126)111-53(21-10-32-105-83(96)97)73(128)114-56(29-30-63(93)123)75(130)112-55(23-12-34-107-85(100)101)74(129)115-57(81(136)137)24-13-35-108-86(102)103/h2,5-8,16-19,25-28,40,43,50,52-62,109,121-122H,1,3-4,9-15,20-24,29-39,41-42,92H2,(H2,93,123)(H,110,127)(H,111,126)(H,112,130)(H,113,131)(H,114,128)(H,115,129)(H,116,133)(H,117,134)(H,118,135)(H,119,125)(H,120,132)(H,136,137)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H4,102,103,108)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m1/s1
IUPAC Name
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-amino-3-(4-benzoylphenyl)propanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-(2,3,4,5,6-pentafluorophenyl)propanamido]-3-cyclohexylpropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid
SMILES
N[C@H](CC1=CC=C(C=C1)C(=O)C1=CC=CC=C1)C(=O)N[C@H](CO)C(=O)N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CO)C(=O)N[C@H](CC1=C(F)C(F)=C(F)C(F)=C1F)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O

References

General References
Not Available
ChemSpider
17312323
ChEMBL
CHEMBL4297362

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentMetastatic Non-squamous Non Small Cell Lung Cancer1
2CompletedTreatmentStage IV Pancreatic Cancer1
1CompletedTreatmentAdvanced Solid Tumors1
1CompletedTreatmentCancer / Solid Tumors1
1, 2CompletedTreatmentMalignant Pleural Mesothelioma (MPM) / Solid Tumors1

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 Solubility0.0292 mg/mLALOGPS
logP-0.99ALOGPS
logP-7.1Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)3.47Chemaxon
pKa (Strongest Basic)12.64Chemaxon
Physiological Charge5Chemaxon
Hydrogen Acceptor Count33Chemaxon
Hydrogen Donor Count32Chemaxon
Polar Surface Area809.33 Å2Chemaxon
Rotatable Bond Count58Chemaxon
Refractivity535.87 m3·mol-1Chemaxon
Polarizability194.5 Å3Chemaxon
Number of Rings6Chemaxon
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
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 01, 2022 00:04 / Updated at December 13, 2022 10:46