NAV

ATL-2502

Identification

Generic Name
ATL-2502
DrugBank Accession Number
DB05340
Background

ATL-2502(Colal-Pred) is an old drug (prednisolone metasulphobenzoate, a steroid) with a new delivery system that releases the medication only in the colon. Releasing the drug directly into the colon reduces the potential for significant side effects often experienced with steroid drugs. Colal-Pred is being studied for use in ulcerative colitis.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 566.595
Monoisotopic: 566.158647955
Chemical Formula
C28H31NaO9S
Synonyms
Not Available
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Pharmacology

Indication

Investigated for use/treatment in inflammatory bowel disease and ulcerative colitis.

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action

ATL-2502 is the combination of Alizyme's proprietary colonic drug delivery system, colal, and prednisolone metasulfobenzoate sodium ("PMSBS"), an approved steroid in Europe. colal-PRED has a starch coating that is only broken down in the gut by bacteria occurring in the colon. This leads to topical delivery of PMSBS to the colon rather than systemic delivery with the objective of providing efficacy, but without the side effects of steroids; however, the efficacy and safety of colal-PRED must be shown in well-controlled, prospective clinical trials and approved by the FDA.

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

Products

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International/Other Brands
Colal-Pred
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
KORTISETIN GÖZ POMADI, 2.5 GATL-2502 (75 mg) + Chlorhexidine gluconate (300 mg)OintmentOphthalmicHÜSNÜ ARSAN İLAÇLARI A.Ş.2020-08-142020-01-27Turkey flag
KORTISETIN GÖZ POMADI, 5 GATL-2502 (150 mg) + Chlorhexidine gluconate (600 mg)OintmentOphthalmicHÜSNÜ ARSAN İLAÇLARI A.Ş.2020-08-142020-01-27Turkey flag

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
D345THM53T
CAS number
Not Available
InChI Key
RWFZSORKWFPGNE-UHFFFAOYSA-M
InChI
InChI=1S/C28H32O9S.Na/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36;/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36);/q;+1/p-1
IUPAC Name
sodium 3-[(2-{1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-oxoethoxy)carbonyl]benzene-1-sulfonate
SMILES
[Na+].CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)C1=CC(=CC=C1)S([O-])(=O)=O

References

General References
  1. Hanauer SB, Sparrow M: COLAL-PRED Alizyme. Curr Opin Investig Drugs. 2004 Nov;5(11):1192-7. [Article]
PubChem Compound
23691973
PubChem Substance
175426980
ChemSpider
11914

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentUlcerative Colitis1
2CompletedTreatmentUlcerative Colitis1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
OintmentOphthalmic
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0249 mg/mLALOGPS
logP2.5ALOGPS
logP0.81Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)-2.5Chemaxon
pKa (Strongest Basic)-2.9Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area158.1 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity137.82 m3·mol-1Chemaxon
Polarizability55.75 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.8897
Blood Brain Barrier+0.9225
Caco-2 permeable-0.6316
P-glycoprotein substrateSubstrate0.678
P-glycoprotein inhibitor INon-inhibitor0.5478
P-glycoprotein inhibitor IINon-inhibitor0.7755
Renal organic cation transporterNon-inhibitor0.7904
CYP450 2C9 substrateNon-substrate0.8247
CYP450 2D6 substrateNon-substrate0.8165
CYP450 3A4 substrateSubstrate0.6485
CYP450 1A2 substrateNon-inhibitor0.7743
CYP450 2C9 inhibitorNon-inhibitor0.7888
CYP450 2D6 inhibitorNon-inhibitor0.8678
CYP450 2C19 inhibitorNon-inhibitor0.7366
CYP450 3A4 inhibitorNon-inhibitor0.8153
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.7574
Ames testNon AMES toxic0.578
CarcinogenicityNon-carcinogens0.6565
BiodegradationNot ready biodegradable0.6566
Rat acute toxicity2.4859 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.863
hERG inhibition (predictor II)Non-inhibitor0.5656
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-225.2097
predicted
DeepCCS 1.0 (2019)
[M+H]+227.60526
predicted
DeepCCS 1.0 (2019)
[M+Na]+234.06264
predicted
DeepCCS 1.0 (2019)

Drug created at November 18, 2007 18:24 / Updated at June 12, 2020 16:52