Entry
Name
Tagtociclib (USAN)
Formula
C19H28N6O4
Exact mass
404.2172
Mol weight
404.46
Structure
Mol file KCF file DB search
Class
Antineoplastic
DG03138 CDK inhibitor
Efficacy
Antineoplastic, Cyclin-dependent kinase (CDK) inhibitor
Target
Pathway
Brite
Drug groups [BR:br08330 ]
Antineoplastic
DG03138 CDK inhibitor
D12601 Tagtociclib
Target-based classification of drugs [BR:br08310 ]
Protein kinases
Serine/threonine kinases
CMGC group
CDK2
D12601 Tagtociclib (USAN)
BRITE hierarchy
Other DBs
LinkDB
All DBs
KCF data
Show ATOM 29
1 C8y C 16.8700 -14.8400
2 C5a C 18.0600 -15.5400
3 N1b N 19.2500 -14.8400
4 O5a O 18.0600 -16.9400
5 N4y N 16.3800 -13.5100
6 N5x N 14.9800 -13.5100
7 C8y C 14.6300 -14.9100
8 C8x C 15.7500 -15.6800
9 O2a O 12.2500 -14.9100
10 C1b C 13.4400 -15.6100
11 C1a C 11.0600 -15.6100
12 C1a C 17.1500 -12.3900
13 C8y C 20.4400 -15.5400
14 N5x N 20.4400 -16.9400
15 N4x N 21.7700 -17.4300
16 C8y C 22.6100 -16.3100
17 C8x C 21.8400 -15.1200
18 C1y C 24.0100 -16.3100
19 C1x C 24.8500 -17.4300
20 C1y C 26.1800 -16.9400
21 C1x C 26.1800 -15.5400
22 C1x C 24.8500 -15.1200
23 O7a O 27.3700 -17.6400
24 C7a C 28.5600 -16.9400
25 N1b N 29.7500 -17.6400
26 O6a O 28.5600 -15.5400
27 C1c C 30.9400 -16.9400
28 C1a C 32.1300 -17.6400
29 C1a C 30.9400 -15.5400
BOND 31
1 1 2 1
2 2 3 1
3 2 4 2
4 1 5 1
5 5 6 1
6 6 7 2
7 7 8 1
8 1 8 2
9 9 10 1
10 10 7 1
11 9 11 1
12 5 12 1
13 3 13 1
14 13 14 2
15 14 15 1
16 15 16 1
17 16 17 2
18 13 17 1
19 18 16 1 #Up
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 18 22 1
25 20 23 1 #Up
26 23 24 1
27 24 25 1
28 24 26 2
29 25 27 1
30 27 28 1
31 27 29 1