e-Drug3D

1581

LINACLOTIDE


INN
LINACLOTIDE

(has an active metabolite)

cas 851199-59-2
CLASS

METABOLISM
GUANYLATE CYCLASE-C AGONIST
IRRITABLE BOWEL SYNDROME WITH CONSTIPATION
CHRONIC IDIOPATHIC CONSTIPATION

ROUTE (list)

ORAL

ATC code

A06AX04

PK parameters

Cmax BELOW LIMIT OF DETECTION

Solubility

SLIGHTLY SOLUBLE IN WATER


Target

TARGET GUANYLATE CYCLASE-C (GC-C)

DrugCentral

Heat-stable enterotoxin receptor UNIPROT P25092 GUCY2C

Download SDF file L-Tyrosine, L-cysteinyl-L-cysteinyl-L-alpha-glutamyl-L-tyrosyl-L-cysteinyl-L-cysteinyl-L-asparaginyl-L-prolyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-, cyclic (1->6),(2->10),(5->13)-tris(disulfide)

Formula:
C59H79N15O21S6

Calculated chemical properties:

MW 1524.78
NB_atoms 101
XLogP -8.61
PSA 532.29
NB_HD 19
NB_HA 36
fsp3 0.53
Lipinski(0=no;1=yes) 0

FDA
NDA 202811 (label) INN (LINACLOTIDE) LINZESS (ABBVIE) APPROVAL= AP YEAR= 2012 NEWMOLECULARENTITY
NDA 209564 (pdf not found) INN (LINACLOTIDE) LINACLOTIDE (MYLAN) APPROVAL= AP YEAR= 2021 DISCONTINUED
NDA 209611 (pdf not found) INN (LINACLOTIDE) LINACLOTIDE (AUROBINDO PHARMA) APPROVAL= AP YEAR= 2023 DISCONTINUED
NDA 211255 (pdf not found) INN (LINACLOTIDE) LINACLOTIDE (ACTAVIS LABS FL INC) APPROVAL= TA YEAR= 2026

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL

e-Drug3D

1582

M LINACLOTIDE


INN
LINACLOTIDE

(is an active metabolite)

cas 851199-59-2
CLASS

METABOLISM
GUANYLATE CYCLASE-C AGONIST
IRRITABLE BOWEL SYNDROME WITH CONSTIPATION
CHRONIC IDIOPATHIC CONSTIPATION

ROUTE (list)

-

ATC code

A06AX04

PK parameters

Target

TARGET GUANYLATE CYCLASE-C (GC-C)

DrugCentral

Heat-stable enterotoxin receptor UNIPROT P25092 GUCY2C

Download SDF file L-cysteinyl-L-cysteinyl-L-glutamyl-L-tyrosyl-L-cysteinyl-L-cysteinyl-Lasparaginyl-L-prolyl-L-alanyl-L-cysteinyl-L-threonyl-glycyl-L-cysteinyl, cyclic (1-6), (2-10), (513)-tris (disulfide)

Formula:
C50H70N14O19S6

Calculated chemical properties:

MW 1361.60
NB_atoms 89
XLogP -9.04
PSA 482.491
NB_HD 17
NB_HA 33
fsp3 0.58
Lipinski(0=no;1=yes) 0

FDA
-

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL