e-Drug3D
1811
OBETICHOLIC ACID
INN
OBETICHOLIC ACID
cas 459789-99-2
CLASS
METABOLISM
FARNESOID X RECEPTOR (FXR) AGONIST
TREATMENT OF PRIMARY BILIARY CHOLANGITIS (PBC)
ROUTE (list)
ORAL
ATC code
A05AA04
PK parameters
Tmax 1.5 HOUR
VD 618 LITER
PPB 99 PERCENT
Solubility
SOLUBLE IN WATER PH DEPENDENT
TARGET FARNESOID X RECEPTOR (FXR)
PDB
1OT7 (STRUCTURAL BASIS FOR 3-DEOXY-CDCA BINDING AND ACTIVATION OF FXR)
Ligand code = CHC (link to the list of PDB complexes)
Download experimental 3D coordinates of CHC with added hydrogens
Bile acid receptor UNIPROT Q96RI1 NR1H4
Formula:
C26H44O4
Calculated chemical properties:
MW 419.60
NB_atoms 30
XLogP 3.78
PSA 71.072
NB_HD 2
NB_HA 4
fsp3 0.96
Lipinski(0=no;1=yes) 1
NB_atoms 30
XLogP 3.78
PSA 71.072
NB_HD 2
NB_HA 4
fsp3 0.96
Lipinski(0=no;1=yes) 1
FDA
NDA 207999 (label) INN (OBETICHOLIC ACID) OCALIVA (INTERCEPT) APPROVAL= AP YEAR= 2016 NEWMOLECULARENTITY DISCONTINUED
NDA 215017 (pdf not found) INN (OBETICHOLIC ACID) OBETICHOLIC ACID (MSN) APPROVAL= AP YEAR= 2023 DISCONTINUED
NDA 214862 (pdf not found) INN (OBETICHOLIC ACID) OBETICHOLIC ACID (APOTEX) APPROVAL= AP YEAR= 2023 DISCONTINUED
NDA 214935 (pdf not found) INN (OBETICHOLIC ACID) OBETICHOLIC ACID (OPTIMUS PHARMA PRIVATE LTD) APPROVAL= TA YEAR= 2023
NDA 214980 (pdf not found) INN (OBETICHOLIC ACID) OBETICHOLIC ACID (LUPIN) APPROVAL= AP YEAR= 2023 DISCONTINUED
NDA 207999 (label) INN (OBETICHOLIC ACID) OCALIVA (INTERCEPT) APPROVAL= AP YEAR= 2016 NEWMOLECULARENTITY DISCONTINUED
NDA 215017 (pdf not found) INN (OBETICHOLIC ACID) OBETICHOLIC ACID (MSN) APPROVAL= AP YEAR= 2023 DISCONTINUED
NDA 214862 (pdf not found) INN (OBETICHOLIC ACID) OBETICHOLIC ACID (APOTEX) APPROVAL= AP YEAR= 2023 DISCONTINUED
NDA 214935 (pdf not found) INN (OBETICHOLIC ACID) OBETICHOLIC ACID (OPTIMUS PHARMA PRIVATE LTD) APPROVAL= TA YEAR= 2023
NDA 214980 (pdf not found) INN (OBETICHOLIC ACID) OBETICHOLIC ACID (LUPIN) APPROVAL= AP YEAR= 2023 DISCONTINUED