This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Ilorasertib
- DrugBank Accession Number
- DB11694
- Background
Ilorasertib has been used in trials studying the treatment of Myelodysplasia, Solid Neoplasm, Advanced Cancers, Advanced Solid Tumors, and Acute Myelogenous Leukemia, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Ilorasertib (DB11694)
- Weight
- Average: 488.54
Monoisotopic: 488.143073277 - Chemical Formula
- C25H21FN6O2S
- Synonyms
- 1-(4-(4-amino-7-(1-(2-hydroxyethyl)-1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl)phenyl)-3-(3-fluorophenyl)urea
- 1-(4-{4-amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridine-3-yl}phenyl)-3-(3-fluorophenyl)urea)
- Ilorasertib
- Urea, N-(4-(4-amino-7-(1-(2-hydroxyethyl)-1H-pyrazol-4-yl)thieno(3,2-c)pyridin-3-yl)phenyl)-N'-(3-fluorophenyl)-
- External IDs
- A-968660.0
- ABBOTT-968660
- ABT-348
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.
Drug Interaction Integrate drug-drug
interactions in your softwareArticaine The risk or severity of methemoglobinemia can be increased when Ilorasertib is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when Ilorasertib is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when Ilorasertib is combined with Benzyl alcohol. Bupivacaine The risk or severity of methemoglobinemia can be increased when Ilorasertib is combined with Bupivacaine. Butacaine The risk or severity of methemoglobinemia can be increased when Ilorasertib is combined with Butacaine. Butamben The risk or severity of methemoglobinemia can be increased when Ilorasertib is combined with Butamben. Capsaicin The risk or severity of methemoglobinemia can be increased when Ilorasertib is combined with Capsaicin. Chloroprocaine The risk or severity of methemoglobinemia can be increased when Ilorasertib is combined with Chloroprocaine. Cinchocaine The risk or severity of methemoglobinemia can be increased when Ilorasertib is combined with Cinchocaine. Cocaine The risk or severity of methemoglobinemia can be increased when Ilorasertib is combined with Cocaine. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Pyridines and derivatives
- Sub Class
- Pyrazolylpyridines
- Direct Parent
- Pyrazolylpyridines
- Alternative Parents
- N-phenylureas / Thienopyridines / Aminopyridines and derivatives / Fluorobenzenes / Primary aromatic amines / Aryl fluorides / Imidolactams / Thiophenes / Pyrazoles / Heteroaromatic compounds show 9 more
- Substituents
- 3-pyrazolylpyridine / Alcohol / Alkanolamine / Amine / Aminopyridine / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Azole show 24 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6L5D03D975
- CAS number
- 1227939-82-3
- InChI Key
- WPHKIQPVPYJNAX-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)
- IUPAC Name
- 1-(4-{4-amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-3-(3-fluorophenyl)urea
- SMILES
- NC1=C2C(SC=C2C2=CC=C(NC(=O)NC3=CC(F)=CC=C3)C=C2)=C(C=N1)C1=CN(CCO)N=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 46207586
- PubChem Substance
- 347828059
- ChemSpider
- 24809095
- BindingDB
- 50381716
- ChEMBL
- CHEMBL1980297
- ZINC
- ZINC000063298074
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Advanced Malignant Neoplasm 1 1 Completed Treatment Acute Lymphoblastic Leukaemias (ALL) / Acute Myeloid Leukemia / B-Cell Chronic Lymphocytic Leukemia / Chronic Myelogenous Leukemia (CML) / Myelodysplastic Syndrome 1 1 Completed Treatment Advanced Solid Tumors 1 1 Completed Treatment Metastatic Cancer / Solid Tumors / Unresectable Malignant Neoplasm 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 0.00695 mg/mL ALOGPS logP 3.71 ALOGPS logP 3.72 Chemaxon logS -4.8 ALOGPS pKa (Strongest Acidic) 11.28 Chemaxon pKa (Strongest Basic) 4.96 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 118.09 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 147.93 m3·mol-1 Chemaxon Polarizability 50.11 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes 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 20, 2016 20:40 / Updated at November 16, 2022 21:59