Ricolinostat

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

Identification

Name
Ricolinostat
Accession Number
DB12376
Type
Small Molecule
Groups
Investigational
Description

Ricolinostat is under investigation for the treatment of Breast Carcinoma and Metastatic Breast Cancer.

Structure
Thumb
Synonyms
Not Available
External IDs
ACY-1215 / ACY-63
Categories
UNII
WKT909C62B
CAS number
1316214-52-4
Weight
Average: 433.512
Monoisotopic: 433.211389749
Chemical Formula
C24H27N5O3
InChI Key
QGZYDVAGYRLSKP-UHFFFAOYSA-N
InChI
InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
IUPAC Name
7-{[2-(diphenylamino)pyrimidin-5-yl]formamido}-N-hydroxyheptanamide
SMILES
ONC(=O)CCCCCCNC(=O)C1=CN=C(N=C1)N(C1=CC=CC=C1)C1=CC=CC=C1

Pharmacology

Indication
Not Available
Structured Indications
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
DrugInteractionDrug group
VemurafenibThe risk or severity of QTc prolongation can be increased when Vemurafenib is combined with Ricolinostat.Approved
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
53340666
PubChem Substance
347828624
ChemSpider
28536129
BindingDB
50439674
ChEBI
95073
ChEMBL
CHEMBL2364628

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingOtherMultiple Myeloma (MM)1
1Active Not RecruitingTreatmentCancer, Ovarian / Fallopian Tube Cancer / Primary Peritoneal Cancer / Primary Peritoneal Carcinoma1
1CompletedBasic ScienceHealthy Volunteers1
1Not Yet RecruitingTreatmentNon-Resectable Cholangiocarcinoma / Recurrent Cholangiocarcinoma / Stage III Extrahepatic Bile Duct Cancer / Stage III Intrahepatic Cholangiocarcinoma / Stage IIIA Hilar Cholangiocarcinoma / Stage IIIB Hilar Cholangiocarcinoma / Stage IVA Extrahepatic Bile Duct Cancer / Stage IVA Hilar Cholangiocarcinoma / Stage IVA Intrahepatic Cholangiocarcinoma / Stage IVB Extrahepatic Bile Duct Cancer / Stage IVB Hilar Cholangiocarcinoma / Stage IVB Intrahepatic Cholangiocarcinoma / Unresectable Extrahepatic Bile Duct Carcinoma1
1RecruitingTreatmentCarcinoma, Breast / Metastatic Breast Cancer (MBC)1
1RecruitingTreatmentRecurrent Chronic Lymphoid Leukemia1
1, 2Active Not RecruitingTreatmentMultiple Myeloma (MM)2
1, 2CompletedTreatmentMultiple Myeloma (MM)1
1, 2RecruitingTreatmentLymphoid Malignancies / Malignant Lymphomas1
2Not Yet RecruitingTreatmentDiabetic Neuropathic Pain1

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 Solubility0.014 mg/mLALOGPS
logP3.04ALOGPS
logP3.65ChemAxon
logS-4.5ALOGPS
pKa (Strongest Acidic)8.91ChemAxon
pKa (Strongest Basic)-1.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area107.45 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity122.73 m3·mol-1ChemAxon
Polarizability48.16 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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/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 pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazines
Sub Class
Pyrimidines and pyrimidine derivatives
Direct Parent
Pyrimidinecarboxylic acids and derivatives
Alternative Parents
Aniline and substituted anilines / Aminopyrimidines and derivatives / Heteroaromatic compounds / Secondary carboxylic acid amides / Hydroxamic acids / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
Pyrimidine-5-carboxylic acid or derivatives / Aniline or substituted anilines / Aminopyrimidine / Monocyclic benzene moiety / Benzenoid / Heteroaromatic compound / Carboxamide group / Hydroxamic acid / Secondary carboxylic acid amide / Carboxylic acid derivative
show 10 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:08 / Updated on December 01, 2017 16:29