This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- SOR-C13
- DrugBank Accession Number
- DB15366
- Background
SOR-C13 is under investigation in clinical trial NCT01578564 (Safety and Tolerability Study of SOR-C13 in Subjects With Advanced Cancers Commonly Known to Express the TRPV6 Channel).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for SOR-C13 (DB15366)
- Weight
- Average: 1565.841
Monoisotopic: 1564.872561595 - Chemical Formula
- C72H116N20O19
- Synonyms
- H-Lys-Glu-Phe-Leu-His-Pro-Ser-Lys-Val-Asp-Leu-Pro-Arg-OH
- External IDs
- SOR-C13
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcebutolol Acebutolol may increase the arrhythmogenic activities of SOR-C13. Acetyldigitoxin Acetyldigitoxin may increase the arrhythmogenic activities of SOR-C13. Adenosine Adenosine may increase the arrhythmogenic activities of SOR-C13. Ajmaline Ajmaline may increase the arrhythmogenic activities of SOR-C13. Ambroxol The risk or severity of methemoglobinemia can be increased when SOR-C13 is combined with Ambroxol. - Food Interactions
- Not Available
Categories
- Drug Categories
- Amino Acids, Peptides, and Proteins
- Antiarrhythmic agents
- Antineoplastic Agents
- Calcium Channel Blockers
- Calcium-Regulating Hormones and Agents
- Cardiovascular Agents
- Carrier Proteins
- Ion Channels
- Membrane Transport Modulators
- Membrane Transport Proteins
- Proteins
- Transient Receptor Potential Channels
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- C79B5A73C4
- CAS number
- 1187852-48-7
- InChI Key
- LGANPTNILMNMES-TVNHODDRSA-N
- InChI
- InChI=1S/C72H116N20O19/c1-39(2)31-48(84-63(102)49(33-42-17-8-7-9-18-42)85-60(99)46(24-25-56(94)95)81-59(98)44(75)19-10-12-26-73)62(101)88-52(34-43-36-78-38-80-43)70(109)92-30-16-23-55(92)67(106)89-53(37-93)65(104)82-45(20-11-13-27-74)61(100)90-58(41(5)6)68(107)86-50(35-57(96)97)64(103)87-51(32-40(3)4)69(108)91-29-15-22-54(91)66(105)83-47(71(110)111)21-14-28-79-72(76)77/h7-9,17-18,36,38-41,44-55,58,93H,10-16,19-35,37,73-75H2,1-6H3,(H,78,80)(H,81,98)(H,82,104)(H,83,105)(H,84,102)(H,85,99)(H,86,107)(H,87,103)(H,88,101)(H,89,106)(H,90,100)(H,94,95)(H,96,97)(H,110,111)(H4,76,77,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1
- IUPAC Name
- (4S)-4-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}pentyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}-4-[(2S)-2,6-diaminohexanamido]butanoic acid
- SMILES
- CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 64854333
- BindingDB
- 50459973
- ChEMBL
- CHEMBL4228250
Clinical Trials
- Clinical Trials
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
Property Value Source Water Solubility 0.0347 mg/mL ALOGPS logP -3.2 ALOGPS logP -12 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 3.14 Chemaxon pKa (Strongest Basic) 12.05 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 26 Chemaxon Hydrogen Donor Count 21 Chemaxon Polar Surface Area 632.39 Å2 Chemaxon Rotatable Bond Count 50 Chemaxon Refractivity 408.39 m3·mol-1 Chemaxon Polarizability 162.6 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 15:20 / Updated at July 18, 2023 22:57