e-Drug3D

2014

BEROTRALSTAT

INN
BEROTRALSTAT

cas 1809010-50-1

CLASS

CARDIOVASCULAR
INDICATED FOR PROPHYLAXIS TO PREVENT ATTACKS OF HEREDITARY ANGIOEDEMA (HAE)
PLASMA KALLIKREIN PROTEASE INHIBITOR

ROUTE (list)

ORAL

ATC code

B06AC06

PK parameters

Tmax 5 HOUR
PPB 99 PERCENT
t1/2 93 HOUR

Solubility

SOLUBLE IN WATER IF PH LESS THAN 4.5

Target

TARGET KALLIKREIN

PDB
7N7X (CRYSTAL STRUCTURE OF BCX7353(ORLADEYO) IN COMPLEX WITH HUMAN PLASMA KALLIKREIN SERINE PROTEASE DOMAIN AT 2.1 ANGSTROM RESOLUTION)

Download experimental 3D coordinates of 0RI with added hydrogens

Plasma kallikrein UNIPROT P03952 KLKB1

Download SDF file

1H-Pyrazole-5-carboxamide, 1-[3-(aminomethyl)phenyl]-N-[5-[(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl]-2-fluorophenyl]-3-(trifluoromethyl)-

Formula:
C30H26F4N6O

Calculated chemical properties:

MW 562.57
NB_atoms 41
XLogP 5.70
PSA 95.063
NB_HD 4
NB_HA 7
fsp3 0.23
Lipinski(0=no;1=yes) 0

FDA
NDA 214094 (pdf not found) INN (BEROTRALSTAT HYDROCHLORIDE) ORLADEYO (BIOCRYST) APPROVAL= AP YEAR= 2020 NEWMOLECULARENTITY