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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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.
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
PubChem Compound
49848070
PubChem Substance
347828775
ChemSpider
26323626
ChEMBL
CHEMBL2142592
ZINC
ZINC000068247898
PDBe Ligand
1KS
PDB Entries
4jkv

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentIdiopathic Pulmonary Fibrosis (IPF)1
2RecruitingTreatmentSolid Tumors With PTCH1 Loss-of-function Mutations1
1CompletedOtherHealthy Subjects (HS)2
1CompletedTreatmentBreast Cancer / Cholangiocarcinoma / Malignant Neoplasm of Colon / Soft Tissue Sarcoma (STS) / Solid Tumors1
1CompletedTreatmentCancer, Advanced1
1CompletedTreatmentNeoplasms, Metastasis1
1WithdrawnTreatmentMedulloblastoma, Childhood / Rhabdomyosarcomas1
1, 2CompletedTreatmentAdenocarcinomas of the Gastroesophageal Junction / Stage IB Esophageal Adenocarcinoma AJCC v7 / Stage II Esophageal Adenocarcinoma AJCC v7 / Stage IIA Esophageal Adenocarcinoma AJCC v7 / Stage IIB Esophageal Adenocarcinoma AJCC v7 / Stage IIIA Esophageal Adenocarcinoma AJCC v7 / Stage IIIB Esophageal Adenocarcinoma AJCC v71
1, 2TerminatedTreatmentSmall Cell Lung Cancer (SCLC)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
PropertyValueSource
Water Solubility0.0033 mg/mLALOGPS
logP4.55ALOGPS
logP3.98ChemAxon
logS-5.2ALOGPS
pKa (Strongest Basic)3.68ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area67.15 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity145.08 m3·mol-1ChemAxon
Polarizability49.2 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
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

Drug created at October 20, 2016 22:49 / Updated at February 21, 2021 18:53