NAV

Apitolisib

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

Identification

Generic Name
Apitolisib
DrugBank Accession Number
DB12180
Background

Apitolisib has been used in trials studying the treatment of Solid Cancers, Breast Cancer, Prostate Cancer, Renal Cell Carcinoma, and Endometrial Carcinoma, among others.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 498.601
Monoisotopic: 498.216157556
Chemical Formula
C23H30N8O3S
Synonyms
  • Apitolisib
  • Apitolisibum
External IDs
  • G-038390
  • G-038390.1
  • GDC 0980
  • GDC-0980
  • GDC-0980.1
  • GNE 390
  • RG 7422
  • RG-7422

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 thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Thienopyrimidines
Sub Class
Not Available
Direct Parent
Thienopyrimidines
Alternative Parents
Dialkylarylamines / Aminopyrimidines and derivatives / Aralkylamines / N-alkylpiperazines / Morpholines / Imidolactams / Thiophenes / Tertiary carboxylic acid amides / Heteroaromatic compounds / Trialkylamines
show 9 more
Substituents
1,4-diazinane / Alcohol / Amine / Amino acid or derivatives / Aminopyrimidine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Carbonyl group / Carboxamide group
show 25 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
1C854K1MIJ
CAS number
1032754-93-0
InChI Key
YOVVNQKCSKSHKT-HNNXBMFYSA-N
InChI
InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1
IUPAC Name
(2S)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one
SMILES
C[C@H](O)C(=O)N1CCN(CC2=C(C)C3=NC(=NC(N4CCOCC4)=C3S2)C2=CN=C(N)N=C2)CC1

References

General References
Not Available
PubChem Compound
25254071
PubChem Substance
347828467
ChemSpider
26325996
BindingDB
50358204
ChEMBL
CHEMBL1922094
ZINC
ZINC000059224388
PDBe Ligand
980
PDB Entries
3tl5

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentBreast Cancer1
2CompletedTreatmentEndometrial Carcinoma1
2CompletedTreatmentRenal Cell Carcinoma1
1CompletedTreatmentBreast Cancer1
1CompletedTreatmentHealthy Subjects (HS)3
1CompletedTreatmentNon-Hodgkin's Lymphoma, Solid Cancers2
1CompletedTreatmentSolid Cancers2
1, 2Active Not RecruitingTreatmentProstate Cancer1

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
logP1.52ChemAxon
pKa (Strongest Acidic)13.47ChemAxon
pKa (Strongest Basic)6.76ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area133.83 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity146.11 m3·mol-1ChemAxon
Polarizability53.98 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
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 21:33 / Updated at February 21, 2021 18:53