e-Drug3D

70

cas 113-15-5

CLASS

NERVOUS SYSTEM
ADRENERGIC ALPHA AGONISTS
ANALGESICS
SYMPATHOLYTICS
VASOCONSTRICTOR AGENTS
TO ABORT OR PREVENT VASCULAR HEADACHE

ROUTE (list)

ORAL RECTAL INHALATION SUBLINGUAL

PK parameters

F 62 PERCENT
Tmax 0.5 HOUR
VD 120 LITER (65 KILOGRAM)
Cl 44 LITER / HOUR (65 KILOGRAM)
PPB 98 PERCENT
t1/2 2.25 HOUR

TARGET ALPHA ADRENERGIC RECEPTOR

PDB
5TUD (STRUCTURAL INSIGHTS INTO THE EXTRACELLULAR RECOGNITION OF THE HUMAN SEROTONIN 2B RECEPTOR BY AN ANTIBODY)

Ligand code = ERM (link to the list of PDB complexes)

Download experimental 3D coordinates of ERM with added hydrogens

MW 581.66
NB_atoms 43
XLogP 1.99
PSA 109.433
NB_HD 3
NB_HA 10
fsp3 0.42
Lipinski(0=no;1=yes) 0

FDA
NDA 006620 (pdf not found) INN (CAFFEINE ; ERGOTAMINE TARTRATE) CAFERGOT (NOVARTIS) APPROVAL= AP YEAR= 1948 DISCONTINUED
NDA 009000 (pdf not found) INN (CAFFEINE ; ERGOTAMINE TARTRATE) CAFERGOT (NOVARTIS) APPROVAL= AP YEAR= 1953 DISCONTINUED
NDA 012102 (pdf not found) INN (ERGOTAMINE TARTRATE) MEDIHALER ERGOTAMINE (3M) APPROVAL= AP YEAR= 1960 DISCONTINUED
NDA 084294 (pdf not found) INN (CAFFEINE ; ERGOTAMINE TARTRATE) CAFERGOT (SANDOZ) APPROVAL= AP YEAR= 1976 DISCONTINUED
NDA 086562 (pdf not found) INN (CAFFEINE ; ERGOTAMINE TARTRATE) WIGRAINE (ORGANON USA INC) APPROVAL= AP YEAR= 1980 DISCONTINUED
NDA 086750 (pdf not found) INN (ERGOTAMINE TARTRATE) WIGRETTES (ORGANON USA INC) APPROVAL= AP YEAR= 1982 DISCONTINUED
NDA 086557 (pdf not found) INN (CAFFEINE ; ERGOTAMINE TARTRATE) MIGERGOT (COSETTE) APPROVAL= AP YEAR= 1983
NDA 087693 (pdf not found) INN (ERGOTAMINE TARTRATE) ERGOMAR (PANGEA) APPROVAL= AP YEAR= 1985
NDA 088337 (pdf not found) INN (ERGOTAMINE TARTRATE) ERGOSTAT (WATSON LABS INC) APPROVAL= AP YEAR= 1987 DISCONTINUED
NDA 040510 (pdf not found) INN (CAFFEINE ; ERGOTAMINE TARTRATE) ERGOTAMINE TARTRATE AND CAFFEINE (HIKMA INTL PHARMS) APPROVAL= AP YEAR= 2004 DISCONTINUED
NDA 040590 (pdf not found) INN (CAFFEINE ; ERGOTAMINE TARTRATE) ERGOTAMINE TARTRATE AND CAFFEINE (MIKART) APPROVAL= AP YEAR= 2005