| Entry |
|
|---|
| Name |
Prednimustine (USAN/INN) |
|---|
| Formula |
C35H45Cl2NO6
|
|---|
| Exact mass |
645.2624
|
|---|
| Mol weight |
646.64
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01677 Alkylating agent
DG01678 Nitrogen mustard analog
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Alkylating agent |
|---|
| Comment |
ester of Prednisolone [DR: D00472] and Chlorambucil [DR: D00266]
|
|---|
| Target |
DNA |
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01A ALKYLATING AGENTS
L01AA Nitrogen mustard analogues
L01AA08 Prednimustine
D05602 Prednimustine (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01677 Alkylating agent
DG01678 Nitrogen mustard analog
D05602 Prednimustine
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 44
1 C1y C 21.8417 -19.6680
2 C1y C 20.6301 -20.3204
3 C1z C 21.8417 -18.2700
4 C1x C 24.2649 -19.6680
5 C1y C 19.4651 -19.6214
6 C1x C 20.6301 -21.7184
7 C1z C 23.0533 -17.6176
8 C1x C 20.6767 -17.5710
9 C1a C 21.8651 -16.7784
10 C1x C 24.2649 -18.3166
11 C1z C 18.2535 -20.3204
12 C1y C 19.4651 -18.2700
13 C1x C 19.4185 -22.4173
14 C5a C 23.0533 -16.0796
15 O1a O 24.3581 -17.2448
16 C2y C 18.2535 -21.7184
17 C2x C 17.0419 -19.6214
18 C1a C 18.2535 -19.0156
19 O1a O 18.2535 -17.5710
20 C1b C 24.2183 -15.3806
21 O5a O 21.8417 -15.3806
22 C2x C 17.0419 -22.4173
23 C2x C 15.8770 -20.3204
24 O7a O 25.4298 -16.0796
25 C5x C 15.8770 -21.7184
26 C7a C 26.5948 -15.3806
27 O5x O 14.6654 -22.4173
28 C1b C 27.8064 -16.0796
29 O6a O 26.5948 -13.9827
30 C1b C 29.0180 -15.3806
31 C1b C 30.2296 -16.0796
32 C8y C 31.4406 -15.3799
33 C8x C 32.6538 -16.0799
34 C8x C 33.8661 -15.3795
35 C8y C 33.8656 -13.9795
36 C8x C 32.6524 -13.2795
37 C8x C 31.4402 -13.9799
38 N1c N 35.0795 -13.2781
39 C1b C 36.2944 -13.9789
40 C1b C 35.0789 -11.9000
41 C1b C 36.2843 -11.2033
42 X Cl 37.4773 -11.8915
43 C1b C 37.4717 -13.2987
44 X Cl 38.6685 -13.9893
BOND 48
1 3 7 1
2 3 8 1
3 3 9 1 #Up
4 4 10 1
5 5 11 1
6 5 12 1
7 6 13 1
8 7 14 1 #Up
9 7 15 1 #Down
10 11 16 1
11 11 17 1
12 11 18 1 #Up
13 12 19 1 #Up
14 14 20 1
15 14 21 2
16 16 22 2
17 17 23 2
18 20 24 1
19 22 25 1
20 24 26 1
21 25 27 2
22 26 28 1
23 26 29 2
24 7 10 1
25 8 12 1
26 13 16 1
27 23 25 1
28 1 2 1
29 28 30 1
30 1 3 1
31 30 31 1
32 1 4 1
33 2 5 1
34 2 6 1
35 31 32 1
36 32 33 2
37 33 34 1
38 34 35 2
39 35 36 1
40 36 37 2
41 32 37 1
42 35 38 1
43 38 39 1
44 38 40 1
45 40 41 1
46 41 42 1
47 39 43 1
48 43 44 1
|
|---|
