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Ricolinostat

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

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Identification

Generic Name
Ricolinostat
DrugBank Accession Number
DB12376
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 433.512
Monoisotopic: 433.211389749
Chemical Formula
C24H27N5O3
Synonyms
  • Ricolinostat
External IDs
  • ACY-1215
  • ACY-63
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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.
DrugInteraction
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AcrivastineThe risk or severity of QTc prolongation can be increased when Acrivastine is combined with Ricolinostat.
AdenosineThe risk or severity of QTc prolongation can be increased when Adenosine is combined with Ricolinostat.
AjmalineThe risk or severity of QTc prolongation can be increased when Ajmaline is combined with Ricolinostat.
AlbuterolThe risk or severity of QTc prolongation can be increased when Salbutamol is combined with Ricolinostat.
AlfuzosinThe risk or severity of QTc prolongation can be increased when Alfuzosin is combined with Ricolinostat.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Aminopyrimidine / Aniline or substituted anilines / Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Heteroaromatic compound / Hydrocarbon derivative
show 10 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
WKT909C62B
CAS number
1316214-52-4
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

References

General References
Not Available
PubChem Compound
53340666
PubChem Substance
347828624
ChemSpider
28536129
BindingDB
50439674
ChEBI
95073
ChEMBL
CHEMBL2364628
ZINC
ZINC000089630354
PDBe Ligand
AH4
PDB Entries
5wgl

Clinical Trials

Clinical Trials
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
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2CompletedTreatmentPainful Diabetic Peripheral Neuropathy (PDPN)1somestatusstop reasonjust information to hide
1Active Not RecruitingTreatmentChronic, recurrent Lymphoid Leukemia1somestatusstop reasonjust information to hide
1CompletedBasic ScienceHealthy Volunteers (HV)1somestatusstop reasonjust information to hide
1CompletedOtherMultiple Myeloma (MM)1somestatusstop reasonjust information to hide
1CompletedOtherPeripheral Nervous System Diseases1somestatusstop reasonjust information to hide

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/MSsplash10-0ul0-0022900000-a1c02280ea9620c7406b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ue9-0001900000-8b8a196a806618d93a88
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00b9-0091100000-bcdf612018ab9d9f2615
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05fr-3269300000-adfd4aba777dcc699e71
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0984100000-cc7615f3d7213dce7767
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kf-9726200000-f51741f0e1658a37c368
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-214.6920942
predicted
DarkChem Lite v0.1.0
[M-H]-202.665
predicted
DeepCCS 1.0 (2019)
[M+H]+213.3246942
predicted
DarkChem Lite v0.1.0
[M+H]+205.023
predicted
DeepCCS 1.0 (2019)
[M+Na]+212.7574942
predicted
DarkChem Lite v0.1.0
[M+Na]+212.22057
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:08 / Updated at February 21, 2021 18:53