This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- PM-060184
- DrugBank Accession Number
- DB13137
- Background
PM060184 has been used in trials studying Solid Tumors.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for PM-060184 (DB13137)
- Weight
- Average: 571.715
Monoisotopic: 571.325750801 - Chemical Formula
- C31H45N3O7
- Synonyms
- Not Available
- External IDs
- J3.348.355D
- PM060184
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
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- N-acyl-alpha amino acids and derivatives
- Alternative Parents
- Valine and derivatives / Alpha amino acid amides / Dihydropyranones / N-acyl amines / Enoate esters / Carbamate esters / Secondary carboxylic acid amides / Lactones / Oxacyclic compounds / Monocarboxylic acids and derivatives show 4 more
- Substituents
- Aliphatic heteromonocyclic compound / Alpha,beta-unsaturated carboxylic ester / Alpha-amino acid amide / Carbamic acid ester / Carbonyl group / Carboxamide group / Carboxylic acid ester / Dihydropyranone / Enoate ester / Fatty acyl show 16 more
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 52Y8L60CR7
- CAS number
- 960210-99-5
- InChI Key
- IEKGSKLKBICCHQ-BDOJOPHNSA-N
- InChI
- InChI=1S/C31H45N3O7/c1-8-9-14-23(40-30(32)38)15-12-19-33-28(36)27(31(4,5)6)34-26(35)16-11-10-13-21(2)20-22(3)24-17-18-25(39-7)29(37)41-24/h8-13,16,18-20,22-24,27H,14-15,17H2,1-7H3,(H2,32,38)(H,33,36)(H,34,35)/b9-8-,13-10-,16-11-,19-12-,21-20+/t22-,23-,24-,27+/m0/s1
- IUPAC Name
- (1Z,4S,6Z)-1-[(2S)-2-[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methylnona-2,4,6-trienamido]-3,3-dimethylbutanamido]octa-1,6-dien-4-yl carbamate
- SMILES
- COC1=CC[C@H](OC1=O)[C@@H](C)\C=C(/C)\C=C/C=C\C(=O)N[C@H](C(=O)N\C=C/C[C@H](C\C=C/C)OC(N)=O)C(C)(C)C
References
- General References
- Not Available
- External Links
- PubChem Compound
- 57788271
- PubChem Substance
- 347829255
- ChemSpider
- 30771013
- ZINC
- ZINC000098208444
- PDBe Ligand
- 3H4
- PDB Entries
- 4tv9
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Advanced Colorectal Cancer 1 1 Completed Not Available Solid Tumors 1 1 Completed Other Solid Tumors 1
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 0.000527 mg/mL ALOGPS logP 5.01 ALOGPS logP 4.21 Chemaxon logS -6 ALOGPS pKa (Strongest Acidic) 13.17 Chemaxon pKa (Strongest Basic) -0.23 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 146.05 Å2 Chemaxon Rotatable Bond Count 16 Chemaxon Refractivity 163.41 m3·mol-1 Chemaxon Polarizability 63.25 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 21, 2016 03:35 / Updated at June 12, 2020 16:53