Entry
Name
Brepocitinib (USAN)
Formula
C18H21F2N7O
Exact mass
389.1776
Mol weight
389.4024
Structure
Mol file KCF file DB search
Class
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
Remark
Efficacy
Anti-inflammatory, Tyrosine kinase inhibitor
Comment
Treatment of immunological disorders
Target
Pathway
hsa04658 Th1 and Th2 cell differentiation
Interaction
DDI search
Brite
Drug groups [BR:br08330 ]
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
DG03044 Brepocitinib
D11537 Brepocitinib
Target-based classification of drugs [BR:br08310 ]
Protein kinases
Non-receptor tyrosine kinases
JAK family
JAK1
D11537 Brepocitinib (USAN)
TYK2
D11537 Brepocitinib (USAN)
Drug groups [BR:br08330 ]
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
DG03044 Brepocitinib
BRITE hierarchy
Other DBs
LinkDB
All DBs
KCF data
Show ATOM 28
1 C8y C 12.5300 -14.9100
2 N5x N 12.5300 -16.3100
3 C8x C 13.7200 -17.0100
4 C8x C 14.9800 -16.3100
5 C8y C 14.9800 -14.9100
6 N5x N 13.7200 -14.2100
7 N1y N 16.1700 -14.2100
8 C1x C 17.3600 -14.9100
9 C1y C 18.6200 -14.2100
10 N1y N 18.6200 -12.8100
11 C1y C 17.4300 -12.1100
12 C1x C 16.1700 -12.8100
13 C5a C 19.8100 -12.1100
14 C1y C 21.0000 -12.8100
15 O5a O 19.8100 -10.7100
16 C1x C 21.7000 -14.0700
17 C1z C 22.4000 -12.8100
18 X F 23.6066 -12.1000
19 X F 22.0321 -11.4592
20 N1b N 11.3147 -14.2149
21 C8y C 10.1263 -14.9077
22 C8x C 8.8048 -14.5221
23 N5x N 8.0269 -15.6587
24 N4y N 8.8674 -16.7498
25 C8x C 10.1649 -16.2876
26 C1a C 8.4798 -18.0686
27 C1x C 16.7877 -13.2523
28 C1x C 17.2200 -14.2100
BOND 32
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 12 1
14 10 13 1
15 14 13 1 #Up
16 13 15 2
17 16 17 1
18 17 14 1
19 14 16 1
20 17 18 1
21 17 19 1
22 1 20 1
23 20 21 1
24 21 22 1
25 22 23 2
26 23 24 1
27 24 25 1
28 21 25 2
29 24 26 1
30 11 27 1
31 9 28 1
32 28 27 1