ITI-214

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

Identification

Name
ITI-214
Accession Number
DB15039
Description

ITI-214 is under investigation in clinical trial NCT03489772 (Study of ITI-214 in Healthy Volunteers to Determine CNS Engagement).

Type
Small Molecule
Groups
Investigational
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Structure
Thumb
Weight
Average: 507.573
Monoisotopic: 507.218286648
Chemical Formula
C29H26FN7O
Synonyms
Not Available

Pharmacology

Indication
Not Available
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
Affected organisms
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
Classification
Not classified

Chemical Identifiers

UNII
3GBO34D1BE
CAS number
1160521-50-5
InChI Key
BBIPVJCGIASXJB-PKTZIBPZSA-N
InChI
InChI=1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1
IUPAC Name
(11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.0^{2,6}.0^{11,15}]pentadeca-2,5,9-trien-7-one
SMILES
CN1C2=N[[email protected]@H]3CCC[[email protected]@H]3N2C2=NN(CC3=CC=C(C=C3)C3=NC(F)=CC=C3)C(NC3=CC=CC=C3)=C2C1=O

References

General References
Not Available
ChemSpider
35308202
BindingDB
50150119
ChEMBL
CHEMBL3769414
ZINC
ZINC000142626599
PDBe Ligand
4QJ
PDB Entries
5b25

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers1
1TerminatedNot AvailableSchizophrenia1
1, 2CompletedTreatmentParkinson's Disease (PD)1
1, 2RecruitingTreatmentHeart Failure, Systolic1

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 Solubility0.0466 mg/mLALOGPS
logP5.04ALOGPS
logP7.1ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)16.82ChemAxon
pKa (Strongest Basic)2.82ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area78.65 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity154.78 m3·mol-1ChemAxon
Polarizability54.23 Å3ChemAxon
Number of Rings7ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created on May 20, 2019 08:44 / Updated on June 12, 2020 10:53

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