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Details

Stereochemistry ACHIRAL
Molecular Formula C24H26ClNO3S.ClH
Molecular Weight 480.447
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Mocravimod Hydrochloride

SMILES

Cl.NC(CO)(CO)CCC1=CC=C(SC2=CC=CC(OCC3=CC=CC=C3)=C2)C=C1Cl

InChI

InChIKey=MYIFLDFUXIHOCJ-UHFFFAOYSA-N
InChI=1S/C24H26ClNO3S.ClH/c25-23-14-22(10-9-19(23)11-12-24(26,16-27)17-28)30-21-8-4-7-20(13-21)29-15-18-5-2-1-3-6-18;/h1-10,13-14,27-28H,11-12,15-17,26H2;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H26ClNO3S
Molecular Weight 443.986
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

KYORIN Pharmaceutical has developed a new sphingosine 1-phosphate (S1P) receptor type 1 agonist, 2-amino-2-propanediol hydrochloride (KRP-203), for immunomodulation in autoimmune diseases and organ transplantation. This drug was in phase II clinical trial for the treatment Ulcerative Colitis, but this study was terminated. In addition, it has been investigated for the treatment of Cutaneous Lupus Erythematosus and Crohn's Disease, these phases II clinical trial studies were successfully completed.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown
Primary
Unknown
Primary
Unknown

Cmax

ValueDoseCo-administeredAnalytePopulation
0.237 ng/mL
1 mg/kg 1 times / day multiple, oral
MOCRAVIMOD plasma
Homo sapiens
0.609 ng/mL
3 mg/kg 1 times / day multiple, oral
MOCRAVIMOD plasma
Homo sapiens
0.701 ng/mL
3 mg/kg 1 times / day multiple, oral
MOCRAVIMOD plasma
Homo sapiens

AUC

ValueDoseCo-administeredAnalytePopulation
6.49 ng × h/mL
1 mg/kg 1 times / day multiple, oral
MOCRAVIMOD plasma
Homo sapiens
12.1 ng × h/mL
3 mg/kg 1 times / day multiple, oral
MOCRAVIMOD plasma
Homo sapiens
13.3 ng × h/mL
3 mg/kg 1 times / day multiple, oral
MOCRAVIMOD plasma
Homo sapiens

Overview

CYP3A4CYP2C9CYP2D6hERG

OverviewOther

Other InhibitorOther SubstrateOther Inducer

Drug as perpetrator​

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
once daily
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
3YH0N35CE3
Record Status Validated (UNII)
Record Version