| Entry |
|
|---|
| Name |
Entinostat (JAN/USAN/INN) |
|---|
| Formula |
C21H20N4O3
|
|---|
| Exact mass |
376.1535
|
|---|
| Mol weight |
376.4085
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG03133 Histone deacetylase inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Histone deacetylase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01X OTHER ANTINEOPLASTIC AGENTS
L01XH Histone deacetylase (HDAC) inhibitors
L01XH05 Entinostat
D09338 Entinostat (JAN/USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG03133 Histone deacetylase inhibitor
D09338 Entinostat
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Histone deacetylase
HDAC
D09338 Entinostat (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 28
1 O7a O 17.5700 -22.1900
2 C7a C 18.7824 -22.8900
3 C1b C 16.3576 -22.8900
4 N1b N 19.9779 -22.1996
5 O6a O 18.7825 -24.2898
6 C8y C 15.1621 -22.1996
7 C8x C 15.1620 -20.7903
8 N5x N 13.9496 -20.0903
9 C8x C 12.7372 -20.7903
10 C8x C 12.7372 -22.1997
11 C8x C 13.9496 -22.8996
12 C1b C 21.1653 -22.8851
13 C8y C 22.3565 -22.1971
14 C8x C 23.5460 -22.8838
15 C8x C 24.7584 -22.1838
16 C8y C 24.7584 -20.7838
17 C8x C 23.5689 -20.0971
18 C8x C 22.3565 -20.7971
19 C5a C 25.9841 -20.0758
20 N1b N 27.1921 -20.7730
21 O5a O 25.9838 -18.6901
22 C8y C 28.3730 -20.0910
23 C8y C 29.5677 -20.7807
24 C8x C 30.7802 -20.0807
25 C8x C 30.7801 -18.6807
26 C8x C 29.5854 -17.9910
27 C8x C 28.3730 -18.6910
28 N1a N 29.5680 -22.1897
BOND 30
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 2
5 3 6 1
6 6 7 2
7 7 8 1
8 8 9 2
9 9 10 1
10 10 11 2
11 6 11 1
12 4 12 1
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 13 18 1
20 16 19 1
21 19 20 1
22 19 21 2
23 20 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 26 27 2
29 22 27 1
30 23 28 1
|
|---|
