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PCO-371

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

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Data Packages
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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
  • 2,4-IMIDAZOLIDINEDIONE, 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-DIMETHYL-
  • non-peptide small molecule orally available agonist of the parathyroid hormone receptor type I
External IDs
  • PC-0371
  • PCO 371
  • PCO-371
  • PCO371
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
AParathyroid hormone/parathyroid hormone-related peptide receptor
agonist
Humans
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 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
Molecular 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

General References
Not Available
ChemSpider
58827800
BindingDB
64562
ChEMBL
CHEMBL3976807
PDBe Ligand
KHF
PDB Entries
8gw8 / 8jr9

Clinical Trials

Clinical Trials
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
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1CompletedTreatmentHealthy Volunteers (HV)1somestatusstop reasonjust information to hide
1TerminatedTreatmentHealthy Volunteers (HV)1somestatusstop reasonjust information to hide
1TerminatedTreatmentHypoparathyroidism1somestatusstop reasonjust information to hide

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 Solubility0.00721 mg/mLALOGPS
logP3.64ALOGPS
logP3.81Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)8.59Chemaxon
pKa (Strongest Basic)2.53Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area137.48 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity149.97 m3·mol-1Chemaxon
Polarizability62.98 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-000i-0200009000-fb53c5378847dc3ae272
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0000019000-2320badb3da070455499
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-08nc-2000069000-7de9a589790be6f63fa2
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dr-1000095000-02d218ecc58dc5891244
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0avl-1311091000-a4a9698242d8fb7e6723
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kf-9132146000-1e3a8e5004f6136c875a
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Targets

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Details1. Parathyroid hormone/parathyroid hormone-related peptide receptor
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Agonist
General Function
Receptor for parathyroid hormone and for parathyroid hormone-related peptide. The activity of this receptor is mediated by G proteins which activate adenylyl cyclase and also a phosphatidylinositol-calcium second messenger system
Specific Function
G protein-coupled peptide receptor activity
Gene Name
PTH1R
Uniprot ID
Q03431
Uniprot Name
Parathyroid hormone/parathyroid hormone-related peptide receptor
Molecular Weight
66359.98 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]

Drug created at May 20, 2019 14:37 / Updated at August 27, 2024 19:16