Taladegib
Star1
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Taladegib
- DrugBank Accession Number
- DB12550
- Background
Taladegib has been used in trials studying the treatment of Solid Tumor, COLON CANCER, BREAST CANCER, Advanced Cancer, and Rhabdomyosarcoma, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 512.502
Monoisotopic: 512.19477224 - Chemical Formula
- C26H24F4N6O
- Synonyms
- Taladegib
- External IDs
- LY2940680
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!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 phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Diazanaphthalenes
- Sub Class
- Benzodiazines
- Direct Parent
- Phthalazines
- Alternative Parents
- Trifluoromethylbenzenes / 4-halobenzoic acids and derivatives / Benzamides / Dialkylarylamines / Benzoyl derivatives / Aminopyridazines / Fluorobenzenes / Piperidines / Aryl fluorides / Imidolactams show 9 more
- Substituents
- 4-halobenzoic acid or derivatives / Alkyl fluoride / Alkyl halide / Amine / Aminopyridazine / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Azole show 27 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- QY8BWX1LJ5
- CAS number
- 1258861-20-9
- InChI Key
- SZBGQDXLNMELTB-UHFFFAOYSA-N
- InChI
- InChI=1S/C26H24F4N6O/c1-34(25(37)20-8-7-16(27)15-21(20)26(28,29)30)17-10-13-36(14-11-17)24-19-6-4-3-5-18(19)23(32-33-24)22-9-12-31-35(22)2/h3-9,12,15,17H,10-11,13-14H2,1-2H3
- IUPAC Name
- 4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide
- SMILES
- CN(C1CCN(CC1)C1=NN=C(C2=CC=NN2C)C2=CC=CC=C12)C(=O)C1=C(C=C(F)C=C1)C(F)(F)F
References
- General References
- Not Available
- External Links
- PubChem Compound
- 49848070
- PubChem Substance
- 347828775
- ChemSpider
- 26323626
- ChEMBL
- CHEMBL2142592
- ZINC
- ZINC000068247898
- PDBe Ligand
- 1KS
- PDB Entries
- 4jkv
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Active Not Recruiting Treatment Solid Tumors With PTCH1 Loss-of-function Mutations 1 2 Completed Treatment Idiopathic Pulmonary Fibrosis (IPF) 1 1 Completed Other Healthy Volunteers (HV) 2 1 Completed Other Idiopathic Pulmonary Fibrosis (IPF) 1 1 Completed Treatment Advanced 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 0.0033 mg/mL ALOGPS logP 4.55 ALOGPS logP 3.98 Chemaxon logS -5.2 ALOGPS pKa (Strongest Basic) 3.68 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 67.15 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 145.08 m3·mol-1 Chemaxon Polarizability 49.2 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 206.93793 predictedDeepCCS 1.0 (2019) [M+H]+ 209.3335 predictedDeepCCS 1.0 (2019) [M+Na]+ 215.24602 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:49 / Updated at February 21, 2021 18:53