PM-060184

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

Identification

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Name
PM-060184
Accession Number
DB13137
Type
Small Molecule
Groups
Investigational
Description

PM060184 has been used in trials studying Solid Tumors.

Structure
Thumb
Synonyms
Not Available
External IDs
J3.348.355D / PM060184
Categories
UNII
52Y8L60CR7
CAS number
960210-99-5
Weight
Average: 571.715
Monoisotopic: 571.325750801
Chemical Formula
C31H45N3O7
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

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.
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
57788271
PubChem Substance
347829255
ChemSpider
30771013
HET
3H4
PDB Entries
4tv9

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableTumors, Solid1
1RecruitingOtherTumors, Solid1
2Active Not RecruitingTreatmentAdvanced Colorectal 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 Solubility0.000527 mg/mLALOGPS
logP5.01ALOGPS
logP4.21ChemAxon
logS-6ALOGPS
pKa (Strongest Acidic)13.17ChemAxon
pKa (Strongest Basic)-0.23ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area146.05 Å2ChemAxon
Rotatable Bond Count16ChemAxon
Refractivity163.41 m3·mol-1ChemAxon
Polarizability63.25 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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
N-acyl-alpha amino acid or derivatives / Valine or derivatives / Alpha-amino acid amide / Dihydropyranone / Fatty amide / N-acyl-amine / Pyran / Fatty acyl / Alpha,beta-unsaturated carboxylic ester / Enoate ester
show 16 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 21:35 / Updated on September 02, 2019 19:53