PTI-901

Status : investigational

Description

PTI-901 (low-dose naltrexone HCI) is Pain Therapeutics’ novel drug candidate to treat men or women with IBS. It is believed that an imbalance of opioid activity in the gut contributes to the symptoms that comprise IBS. Such an imbalance may be triggered by emotional stress, metabolic disorders or intrinsic release of opioids from neurons in the gut. PTI-901 is the first in a new class of drugs called opioid antagonists designed to restore the balance of opioid activity in the gut. By restoring this imbalance, PTI-901 relieves abdominal pain and other symptoms frequently observed in patients with IBS.

Used

Investigated for use/treatment in irritable bowel syndrome (IBS).

Mechanism Of Action

PTI-901 is the first in a new class of drugs called opioid antagonists designed to restore the balance of opioid activity in the gut

Pharmacodynamics

IBS is a chronic, painful abdominal disorder that leads to major changes in bowel habits. IBS causes some patients to have constipation, diarrhea or in some cases both. The cause of IBS is not known, and as yet there is no cure. People with chronic IBS may be unable to attend social events, hold a job, or travel away from home. Over 10 percent of the U.S. population suffers from IBS. For unknown reasons, IBS predominantly affects women.
PTI-901 (low-dose naltrexone HCI) is Pain Therapeutics’ novel drug candidate to treat men or women with IBS. It is believed that an imbalance of opioid activity in the gut contributes to the symptoms that comprise IBS. PTI-901 is the first in a new class of drugs called opioid antagonists designed to restore the balance of opioid activity in the gut. By restoring this imbalance, PTI-901 relieves abdominal pain and other symptoms frequently observed in patients with IBS

Chemical Classification

This compound belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.

Morphinans

Organic compounds

Alkaloids and derivatives

Morphinans

Calculated Property

kind Value Source
logP 1.36 ChemAxon
IUPAC Name (1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10-trien-14-one hydrochloride ChemAxon
Traditional IUPAC Name naltrexone hydrochloride ChemAxon
Molecular Weight 377.862 ChemAxon
Monoisotopic Weight 377.139385968 ChemAxon
SMILES Cl.[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]1(O)CCC2=O ChemAxon
Molecular Formula C20H24ClNO4 ChemAxon
InChI InChI=1S/C20H23NO4.ClH/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11;/h3-4,11,15,18,22,24H,1-2,5-10H2;1H/t15-,18+,19+,20-;/m1./s1 ChemAxon
InChIKey InChIKey=RHBRMCOKKKZVRY-ITLPAZOVSA-N ChemAxon
Polar Surface Area (PSA) 70 ChemAxon
Refractivity 91.5 ChemAxon
Polarizability 35.97 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 7.39 ChemAxon
pKa (strongest basic) 11.54 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 6 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • HCG20471, isoform CRA_c : in Human