e-Drug3D

2153

DELGOCITINIB

INN
DELGOCITINIB

cas 1263774-59-9

CLASS

DERMATOLOGICALS
JANUS KINASE (JAK) INHIBITOR
TOPICAL TREATMENT OF MODERATE TO SEVERE CHRONIC HAND ECZEMA (CHE)

ROUTE (list)

TOPICAL

ATC code

D11AH11

PK parameters

PPB 25 PERCENT
t1/2 21 HOUR

Solubility

SLIGHTLY SOLUBLE IN WATER AT PH 5.0

Target

TARGET JANUS KINASE JAK1
JAK2
JAK3
TYROSINE KINASE 2 (TYK2)

PDB
7C3N (CRYSTAL STRUCTURE OF JAK3 IN COMPLEX WITH DELGOCITINIB)

Download experimental 3D coordinates of FHX with added hydrogens

Tyrosine-protein kinase JAK3 UNIPROT P52333 JAK3_HUMAN

Non-receptor tyrosine-protein kinase TYK2 UNIPROT P29597 TYK2_HUMAN

Download SDF file

1,6-Diazaspiro[3.4]octane-1-propanenitrile, 3-methyl-beta-oxo-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-, (3S,4R)- (ACI)

Formula:
C16H18N6O

Calculated chemical properties:

MW 310.36
NB_atoms 23
XLogP 1.30
PSA 71.937
NB_HD 1
NB_HA 7
fsp3 0.50
Lipinski(0=no;1=yes) 1

FDA
NDA 219155 (label) INN (DELGOCITINIB) ANZUPGO (LEO PHARMA AS) APPROVAL= AP YEAR= 2025 NEWMOLECULARENTITY