AZD-7762

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

Identification

Name
AZD-7762
Accession Number
DB12242
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
External IDs
AZD7762
Categories
Not Available
UNII
5D822Y3L1H
CAS number
860352-01-8
Weight
Average: 362.422
Monoisotopic: 362.121274767
Chemical Formula
C17H19FN4O2S
InChI Key
IAYGCINLNONXHY-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

Indication
Not Available
Structured Indications
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
11152667
PubChem Substance
347828520
ChemSpider
9327775
BindingDB
50389803
ChEBI
131156
ChEMBL
CHEMBL2041933
HET
YDJ
PDB Entries
2ydj / 4w9w

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentTumors, Solid1
1TerminatedTreatmentAdvanced Solid Malignancies / Advanced Solid Tumors / Cancers1
1TerminatedTreatmentAdvanced Solid Malignancies / Cancers / Tumors, Solid1

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 Solubility0.0129 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 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

Taxonomy

Description
This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Thiophenes
Sub Class
Thiophene carboxylic acids and derivatives
Direct Parent
Thiophene carboxamides
Alternative Parents
2,3,5-trisubstituted thiophenes / 2-heteroaryl carboxamides / Fluorobenzenes / Piperidines / Aryl fluorides / Vinylogous amides / Heteroaromatic compounds / Ureas / Secondary carboxylic acid amides / Amino acids and derivatives
show 7 more
Substituents
2-heteroaryl carboxamide / Thiophene carboxamide / 2,3,5-trisubstituted thiophene / Halobenzene / Fluorobenzene / Piperidine / Aryl fluoride / Aryl halide / Benzenoid / Monocyclic benzene moiety
show 23 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:42 / Updated on November 09, 2017 05:04