MIP-1095 I-131

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

Identification

Generic Name
MIP-1095 I-131
DrugBank Accession Number
DB14978
Background

MIP-1095 I-131 is under investigation in clinical trial NCT03030885 (Use of an Experimental Radiopharmaceutical (131I-MIP-1095) in Men With Metastatic Castration-Resistant Prostate Cancer (mCRPC)).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 568.335
Monoisotopic: 568.073362949
Chemical Formula
C19H25IN4O8
Synonyms
  • 131I-MIP-1095

Pharmacology

Indication

Not Available

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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

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
7DM27RQ9V0
CAS number
1258980-67-4
InChI Key
LFEGKCKGGNXWDV-LUOJOMRDSA-N
InChI
InChI=1S/C19H25IN4O8/c20-11-4-6-12(7-5-11)22-18(31)21-10-2-1-3-13(16(27)28)23-19(32)24-14(17(29)30)8-9-15(25)26/h4-7,13-14H,1-3,8-10H2,(H,25,26)(H,27,28)(H,29,30)(H2,21,22,31)(H2,23,24,32)/t13-,14-/m0/s1/i20+4
IUPAC Name
(2S)-2-({[(1S)-1-carboxy-5-({[4-(¹³¹I)iodophenyl]carbamoyl}amino)pentyl]carbamoyl}amino)pentanedioic acid
SMILES
OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)NC1=CC=C([131I])C=C1)C(O)=O)C(O)=O

References

General References
Not Available
ChemSpider
64854190

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentMetastatic Castration-Resistant Prostate Cancer (mCRPC) / Prostate Cancer1

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 Solubility0.101 mg/mLALOGPS
logP1.03ALOGPS
logP1.35Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)3.09Chemaxon
Physiological Charge-3Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count7Chemaxon
Polar Surface Area194.16 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity120.13 m3·mol-1Chemaxon
Polarizability49.69 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-00kb-0505290000-da5e19d434a5686d5e99
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ufr-0903020000-dc2378dc548a11693b73
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gka-2917540000-21fddaafe455ca91ab18
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ufr-1921110000-d6b659d95d279f2b803b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0079-4907220000-a43c74bf643c625ca31d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fbc-3901000000-1f918e486b3277b26a5b
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:39 / Updated at June 12, 2020 16:53