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

Cmax 4.9 NANOMOLAR
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