NAV

SOR-C13

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
Similar Structures
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
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
Integrate drug-drug
interactions in your software
AcebutololAcebutolol may increase the arrhythmogenic activities of SOR-C13.
AcetyldigitoxinAcetyldigitoxin may increase the arrhythmogenic activities of SOR-C13.
AdenosineAdenosine may increase the arrhythmogenic activities of SOR-C13.
AjmalineAjmaline may increase the arrhythmogenic activities of SOR-C13.
AmbroxolThe risk or severity of methemoglobinemia can be increased when SOR-C13 is combined with Ambroxol.
Food Interactions
Not Available

Categories

Drug Categories
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
ChemSpider
64854333
BindingDB
50459973
ChEMBL
CHEMBL4228250

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAdvanced Malignant Solid Tumor / Refractory Malignant Solid Neoplasm / Refractory Ovarian Carcinoma / Refractory Pancreatic Carcinoma / Stage II Pancreatic Cancer AJCC v8 / Stage IIA Pancreatic Cancer AJCC v8 / Stage IIB Pancreatic Cancer AJCC v8 / Stage III Ovarian Cancer AJCC v8 / Stage III Pancreatic Cancer AJCC v8 / Stage III Prostate Cancer AJCC v8 / Stage IIIA Ovarian Cancer AJCC v8 / Stage IIIA Prostate Cancer AJCC v8 / Stage IIIB Ovarian Cancer AJCC v8 / Stage IIIB Prostate Cancer AJCC v8 / Stage IIIC Ovarian Cancer AJCC v8 / Stage IIIC Prostate Cancer AJCC v8 / Stage IV Ovarian Cancer AJCC v8 / Stage IV Pancreatic Cancer AJCC v8 / Stage IV Prostate Cancer AJCC v8 / Stage IVA Ovarian Cancer AJCC v8 / Stage IVA Prostate Cancer AJCC v8 / Stage IVB Ovarian Cancer AJCC v8 / Stage IVB Prostate Cancer AJCC v81
1CompletedTreatmentCancer1

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 Solubility0.0347 mg/mLALOGPS
logP-3.2ALOGPS
logP-12Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)3.14Chemaxon
pKa (Strongest Basic)12.05Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count26Chemaxon
Hydrogen Donor Count21Chemaxon
Polar Surface Area632.39 Å2Chemaxon
Rotatable Bond Count50Chemaxon
Refractivity408.39 m3·mol-1Chemaxon
Polarizability162.6 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/MSsplash10-01ot-3224090613-8f2e745a8972ab24358c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0hft-1000091111-aa832723d7a5e2a13d12
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fvj-5830290100-4c3b217020ba8a246f0e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-9022170311-bc392b75fccda0933776
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ue9-7924000310-d20e6b9475ce6546218e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-7386933811-dadc97fdc880a3098d7f
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:20 / Updated at July 18, 2023 22:57