e-Drug3D

2032

M ABROCITINIB

INN
ABROCITINIB

(is an active metabolite)

cas 2744171-52-4

CLASS

DERMATOLOGICALS
TREATMENT OF ATOPIC DERMATITIS
JANUS KINASE 1 (JAK1) INHIBITOR

ROUTE (list)

ATC code

D11AH08

PK parameters

PPB 29 PERCENT
t1/2 4 HOUR

Target

TARGET JAK1 KINASE

DrugCentral

Tyrosine-protein kinase JAK1 UNIPROT P23458

Download SDF file

1-Propanesulfonamide, 2-hydroxy-N-[cis-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclobutyl]-, (2S)- (ACI)

Formula:
C14H21N5O3S

Calculated chemical properties:

MW 339.43
NB_atoms 23
XLogP 0.23
PSA 105.995
NB_HD 3
NB_HA 8
fsp3 0.57
Lipinski(0=no;1=yes) 1

FDA
-

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL

e-Drug3D

2030

ABROCITINIB

INN
ABROCITINIB

(has an active metabolite)

cas 1622902-68-4

CLASS

DERMATOLOGICALS
TREATMENT OF ATOPIC DERMATITIS
JANUS KINASE 1 (JAK1) INHIBITOR

ROUTE (list)

ORAL

ATC code

D11AH08

PK parameters

F 60 PERCENT
Tmax 1 HOUR
VD 100 LITER
PPB 64 PERCENT
t1/2 4 HOUR

Solubility

0.04 MILLIGRAM / MILLILITER

Target

TARGET JAK1 KINASE

PDB
6BBU (CRYSTAL STRUCTURE OF JAK1 IN COMPLEX WITH COMPOUND 25)

Ligand code = D7D (link to the list of PDB complexes)

Download experimental 3D coordinates of D7D with added hydrogens

DrugCentral

Tyrosine-protein kinase JAK1 UNIPROT P23458

Download SDF file

1-Propanesulfonamide, N-[cis-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclobutyl]- (ACI)

Formula:
C14H21N5O2S

Calculated chemical properties:

MW 323.43
NB_atoms 22
XLogP 1.25
PSA 85.8
NB_HD 2
NB_HA 7
fsp3 0.57
Lipinski(0=no;1=yes) 1

FDA
NDA 213871 (label) INN (ABROCITINIB) CIBINQO (PFIZER) APPROVAL= AP YEAR= 2022 NEWMOLECULARENTITY