SOR-C13

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

Identification

Name
SOR-C13
Accession Number
DB15366
Type
Small Molecule
Groups
Investigational
Description

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).

Structure
Thumb
Synonyms
Not Available
External IDs
SOR-C13
Categories
UNII
C79B5A73C4
CAS number
1187852-48-7
Weight
Average: 1565.841
Monoisotopic: 1564.872561595
Chemical Formula
C72H116N20O19
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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.
DrugInteraction
AcebutololSOR-C13 may increase the arrhythmogenic activities of Acebutolol.
AcetyldigitoxinSOR-C13 may increase the arrhythmogenic activities of Acetyldigitoxin.
AcetyldigoxinSOR-C13 may increase the arrhythmogenic activities of Acetyldigoxin.
AdenosineAdenosine may increase the arrhythmogenic activities of SOR-C13.
AgmatineAgmatine may increase the arrhythmogenic activities of SOR-C13.
AjmalineAjmaline may increase the arrhythmogenic activities of SOR-C13.
AlprenololSOR-C13 may increase the arrhythmogenic activities of Alprenolol.
AmiodaroneThe risk or severity of adverse effects can be increased when Amiodarone is combined with SOR-C13.
AmlodipineAmlodipine may increase the arrhythmogenic activities of SOR-C13.
AnisodamineSOR-C13 may increase the arrhythmogenic activities of Anisodamine.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
64854333

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentMalignancies1
1RecruitingTreatmentAdvanced Malignant Solid Neoplasm / 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

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
Not Available

Taxonomy

Classification
Not classified

Drug created on May 20, 2019 09:20 / Updated on June 12, 2020 10:53

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