NAV

PCO-371

This drug entry is astuband has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
PCO-371
DrugBank Accession Number
DB14946
Background

PCO-371 is under investigation in clinical trial NCT02475616 (A Single Ascending Dose Study of PCO371 in Healthy Volunteers).

Type
Small Molecule
Groups
Investigational
Structure
 3D
Similar Structures
Weight
Average: 635.66
Monoisotopic: 635.202539433
Chemical Formula
C29H32F3N5O6S
Synonyms
Not Available
External IDs
  • PCO371

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/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug InteractionsLearn More" title="" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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 byClassyfire
Description
This compound belongs to the class of organic compounds known as phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azolidines
Sub Class
Imidazolidines
Direct Parent
Phenylhydantoins
Alternative Parents
Phenylimidazolidines/Azaspirodecane derivatives/Alpha amino acids and derivatives/m-Xylenes/Phenoxy compounds/Phenol ethers/N-acyl ureas/Piperidines/Organosulfonamides/Organic sulfonamides
show 14 more
Substituents
1-phenylhydantoin/2-imidazoline/Alkyl fluoride/Alkyl halide/Alpha-amino acid or derivatives/Amidine/Aromatic heteropolycyclic compound/Azacycle/Azaspirodecane/Benzenoid
show 36 more
分子Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
TE53TU0WSQ
CAS number
1613373-33-3
InChI Key
LDZJFVOUPUFOHX-UHFFFAOYSA-N
InChI
InChI=1S/C29H32F3N5O6S/c1-17-15-20(37-26(40)34-24(38)27(37,3)4)16-18(2)22(17)9-14-44(41,42)36-12-10-28(11-13-36)25(39)33-23(35-28)19-5-7-21(8-6-19)43-29(30,31)32/h5-8,15-16H,9-14H2,1-4H3,(H,33,35,39)(H,34,38,40)
IUPAC Name
1-{3,5-dimethyl-4-[2-({4-oxo-2-[4-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl}sulfonyl)ethyl]phenyl}-5,5-dimethylimidazolidine-2,4-dione
SMILES
CC1=CC(=CC(C)=C1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)C1=CC=C(OC(F)(F)F)C=C1)N1C(=O)NC(=O)C1(C)C

References

一般的参考性用途es
Not Available
ChemSpider
58827800
BindingDB
64562
ChEMBL
CHEMBL3976807

Clinical Trials

Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
1 Completed Treatment Healthy Subjects (HS) 1
1 Terminated Treatment Healthy Subjects (HS) 1
1 Terminated Treatment Hypoparathyroidism 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
Property Value Source
Water Solubility 0.00721 mg/mL ALOGPS
logP 3.64 ALOGPS
logP 3.81 Chemaxon
logS -5 ALOGPS
pKa (Strongest Acidic) 8.59 Chemaxon
pKa (Strongest Basic) 2.53 Chemaxon
Physiological Charge 0 Chemaxon
Hydrogen Acceptor Count 7 Chemaxon
Hydrogen Donor Count 2 Chemaxon
Polar Surface Area 137.48 Å2 Chemaxon
Rotatable Bond Count 7 Chemaxon
Refractivity 149.97 m3·mol-1 Chemaxon
Polarizability 62.98 Å3 Chemaxon
Number of Rings 5 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five No Chemaxon
Ghose Filter No Chemaxon
Veber's Rule No Chemaxon
MDDR-like Rule Yes Chemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at May 20, 2019 14:37 / Updated at June 12, 2020 16:53