Entry
Name
Lerociclib (USAN)
Formula
C26H34N8O
Exact mass
474.2856
Mol weight
474.6012
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Class
Antineoplastic
DG03138 CDK inhibitor
Efficacy
Antineoplastic, Cyclin-dependent kinase (CDK) inhibitor
Comment
Treatment of CDK 4/6 dependent tumors
Target
Pathway
Brite
Drug groups [BR:br08330 ]
Antineoplastic
DG03138 CDK inhibitor
D11455 Lerociclib
Target-based classification of drugs [BR:br08310 ]
Protein kinases
Serine/threonine kinases
CMGC group
CDK4/6
D11455 Lerociclib (USAN)
BRITE hierarchy
Other DBs
LinkDB
All DBs
KCF data
Show ATOM 35
1 C8y C 15.9998 -28.5820
2 C8y C 15.9998 -29.9838
3 N5x N 17.2613 -30.6847
4 C8y C 18.4528 -29.9838
5 N5x N 18.4528 -28.5820
6 C8x C 17.2613 -27.8812
7 N1b N 19.7144 -30.6847
8 C8y C 20.9058 -29.9838
9 N5x N 22.0973 -30.6847
10 C8x C 23.2888 -29.9838
11 C8y C 23.2888 -28.5820
12 C8x C 22.0973 -27.8812
13 C8x C 20.9058 -28.5820
14 N1y N 24.5503 -27.8812
15 C1x C 25.7418 -28.5820
16 C1x C 26.9333 -27.8111
17 N1y N 26.9333 -26.4094
18 C1x C 25.7418 -25.7085
19 C1x C 24.5503 -26.4794
20 C1c C 28.1949 -25.7085
21 C8x C 14.6681 -28.1615
22 C8y C 13.8972 -29.2829
23 N4y N 14.6681 -30.4043
24 C5x C 12.4954 -29.4231
25 N1x N 11.9347 -30.6847
26 C1x C 12.7057 -31.8060
27 C1z C 14.1074 -31.6659
28 C1x C 13.5467 -32.9274
29 C1x C 14.3878 -34.0488
30 C1x C 15.7895 -33.9086
31 C1x C 16.3502 -32.6471
32 C1x C 15.5092 -31.5257
33 O5x O 11.6544 -28.2316
34 C1a C 29.3984 -26.4301
35 C1a C 28.2181 -24.2900
BOND 40
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 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 11 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 14 19 1
22 17 20 1
23 1 21 1
24 21 22 2
25 22 23 1
26 2 23 1
27 22 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 23 27 1
32 27 28 1
33 28 29 1
34 29 30 1
35 30 31 1
36 31 32 1
37 27 32 1
38 24 33 2
39 20 34 1
40 20 35 1