| Entry |
|
|---|
| Name |
Tazemetostat (USAN/INN) |
|---|
| Formula |
C34H44N4O4
|
|---|
| Exact mass |
572.3363
|
|---|
| Mol weight |
572.74
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Transporter substrate
DG01665 ABCB1 substrate
Transporter inhibitor
DG02864 SLC47A1 inhibitor
DG03110 SLC47A2 inhibitor
|
|---|
| Remark |
| Product (DG03020): | D11485<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Histone methyltransferase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Transporter: ABCB1 [HSA: 5243]
|
|---|
| Interaction |
Transporter inhibition: SLC47A1 [HSA: 55244], SLC47A2 [HSA: 146802]
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01X OTHER ANTINEOPLASTIC AGENTS
L01XX Other antineoplastic agents
L01XX72 Tazemetostat
D11444 Tazemetostat (USAN/INN)
Drug groups [BR:br08330]
Transporter substrate
DG01665 ABCB1 substrate
DG03020 Tazemetostat
D11444 Tazemetostat
Transporter inhibitor
DG02864 SLC47A1 inhibitor
DG03020 Tazemetostat
D11444 Tazemetostat
DG03110 SLC47A2 inhibitor
DG03020 Tazemetostat
D11444 Tazemetostat
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Methyltransferases
EZH2
D11444 Tazemetostat (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug transporters
D11444
Drug groups [BR:br08330]
Transporter substrate
DG01665 ABCB1 substrate
DG03020 Tazemetostat
Transporter inhibitor
DG02864 SLC47A1 inhibitor
DG03020 Tazemetostat
DG03110 SLC47A2 inhibitor
DG03020 Tazemetostat
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 42
1 C1x C 6.7900 -15.2600
2 O2x O 6.7900 -16.6600
3 C1x C 8.0024 -17.3600
4 C1x C 9.2149 -16.6600
5 N1y N 9.2149 -15.2600
6 C1x C 8.0024 -14.5600
7 C1b C 10.4460 -14.5490
8 C8y C 11.6512 -15.2447
9 C8x C 11.6516 -16.6596
10 C8x C 12.8642 -17.3593
11 C8y C 14.0765 -16.6589
12 C8x C 14.0760 -15.2439
13 C8x C 12.8634 -14.5443
14 C8y C 15.2847 -17.3560
15 C8x C 15.2852 -18.7598
16 C8y C 16.4979 -19.4594
17 C8y C 17.7101 -18.7590
18 C8y C 17.7096 -17.3552
19 C8x C 16.4969 -16.6556
20 C5a C 18.9200 -16.6558
21 N1b N 20.1193 -17.3479
22 O5a O 18.9196 -15.2601
23 C1b C 21.3043 -16.6633
24 C8y C 22.4972 -17.3517
25 C8y C 22.4976 -18.7597
26 N4x N 23.7103 -19.4594
27 C8y C 24.9225 -18.7590
28 C8x C 24.9221 -17.3510
29 C8y C 23.7094 -16.6513
30 C1a C 23.7091 -15.2602
31 C1a C 26.1337 -19.4578
32 O5x O 21.2647 -19.4723
33 C1a C 18.9231 -19.4588
34 N1c N 16.4983 -20.8598
35 C1y C 17.7272 -21.5690
36 C1b C 15.3024 -21.5509
37 C1x C 17.7274 -22.9599
38 C1x C 18.9400 -23.6597
39 O2x O 20.1523 -22.9595
40 C1x C 20.1521 -21.5686
41 C1x C 18.9396 -20.8688
42 C1a C 14.1144 -20.8655
BOND 46
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 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 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 18 20 1
23 20 21 1
24 20 22 2
25 21 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 2
31 28 29 1
32 24 29 2
33 29 30 1
34 27 31 1
35 25 32 2
36 17 33 1
37 16 34 1
38 34 35 1
39 34 36 1
40 35 37 1
41 37 38 1
42 38 39 1
43 39 40 1
44 40 41 1
45 35 41 1
46 36 42 1
|
|---|
