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

Identification
NameAZD-7762
Accession NumberDB12242
TypeSmall Molecule
GroupsInvestigational
Description

AZD7762 has been investigated for the treatment of Cancer, Solid Tumors, and Advanced Solid Malignancies.

Structure
Thumb
SynonymsNot Available
External IDs AZD7762
Product Ingredients Not Available
ProductsNot Available
International BrandsNot Available
Brand mixturesNot Available
Categories
UNII5D822Y3L1H
CAS number860352-01-8
WeightAverage: 362.422
Monoisotopic: 362.121274767
Chemical FormulaC17H19FN4O2S
InChI KeyIAYGCINLNONXHY-LBPRGKRZSA-N
InChI
InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
IUPAC Name
5-(3-fluorophenyl)-3-[(C-hydroxycarbonimidoyl)amino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
SMILES
[H][[email protected]@]1(CCCNC1)NC(=O)C1=C(NC(O)=N)C=C(S1)C1=CC(F)=CC=C1
Pharmacology
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
Pharmacogenomic Effects/ADRs Not Available
Interactions
Drug Interactions Not Available
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
Clinical Trials
Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentTumors, Solid1
1TerminatedTreatmentAdvanced Solid Malignancies / Advanced Solid Tumors / Cancers1
1TerminatedTreatmentAdvanced Solid Malignancies / Cancers / Tumors, Solid1
Properties
StateNot Available
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.0129 mg/mLALOGPS
logP1.36ALOGPS
logP1.87ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)8.32ChemAxon
pKa (Strongest Basic)9.55ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area97.24 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity106.47 m3·mol-1ChemAxon
Polarizability37.4 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET featuresNot Available
Spectra
Mass Spec (NIST)Not Available
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
Taxonomy
DescriptionThis compound belongs to the class of chemical entities known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganoheterocyclic compounds
Sub ClassThiophenes
Direct ParentThiophene carboxamides
Alternative Parents2,3,5-trisubstituted thiophenes / 2-heteroaryl carboxamides / Fluorobenzenes / Piperidines / Aryl fluorides / Vinylogous amides / Heteroaromatic compounds / Ureas / Secondary carboxylic acid amides / Amino acids and derivatives
Substituents2-heteroaryl carboxamide / 2,3,5-trisubstituted thiophene / Thiophene carboxamide / Fluorobenzene / Halobenzene / Aryl fluoride / Aryl halide / Monocyclic benzene moiety / Benzenoid / Piperidine
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Drug created on October 20, 2016 15:42 / Updated on September 01, 2017 12:18