Entry
Name
Lurbinectedin (USAN/INN); Zepzelca (TN)
Product
Formula
C41H44N4O10S
Exact mass
784.2778
Mol weight
784.8739
Structure
Mol file KCF file DB search
Remark
Efficacy
Antineoplastic, Alkylating agent
Disease
Small cell lung cancer [DS:
H00013 ]
Comment
Tetrahydroisoquinoline alkaloid
Target
DNA
Interaction
DDI search
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01X OTHER ANTINEOPLASTIC AGENTS
L01XX Other antineoplastic agents
L01XX69 Lurbinectedin
D11644 Lurbinectedin (USAN/INN) <US>
USP drug classification [BR:br08302 ]
Antineoplastics
Alkylating Agents
Lurbinectedin
D11644 Lurbinectedin (USAN/INN)
New drug approvals in the USA [br08319.html ]
New molecular entities and new therapeutic biological products
D11644
New drug approvals in the USA, Europe and Japan [br08328.html ]
Approval dates by FDA, EMA and PMDA
D11644
BRITE hierarchy
Other DBs
LinkDB
All DBs
KCF data
Show ATOM 56
1 C1z C 23.8000 -12.0400
2 C8y C 25.0600 -12.7400
3 C8y C 26.1800 -11.9700
4 C1x C 26.1800 -10.5700
5 C1x C 24.9200 -9.9400
6 N1x N 23.8000 -10.6400
7 C1y C 12.7400 -15.4000
8 C1y C 14.1400 -15.4000
9 N1y N 15.1200 -16.3800
10 C1y C 15.1200 -17.7800
11 C1y C 14.1400 -18.7600
12 C8y C 12.7400 -18.7600
13 C8y C 11.7600 -17.7800
14 C1x C 11.7600 -16.3800
15 C8x C 10.3600 -18.1300
16 C8y C 10.0100 -19.5300
17 C8y C 10.9900 -20.5100
18 C8y C 12.3200 -20.1600
19 C1y C 16.3100 -18.4800
20 C8y C 17.5700 -17.7800
21 C8y C 17.5700 -16.3800
22 C1y C 16.3100 -15.6800
23 C8y C 18.7600 -18.4800
24 C8y C 19.9500 -17.7800
25 C8y C 19.9500 -16.3800
26 C8y C 18.7600 -15.6800
27 O2x O 21.0000 -15.4700
28 C1x C 20.4400 -14.2100
29 O2x O 19.0400 -14.3500
30 O1a O 14.6300 -14.0700
31 N1y N 14.1400 -16.6600
32 C1a C 12.7400 -16.6600
33 O1a O 13.3000 -21.1400
34 O2a O 10.6400 -21.8400
35 C1a C 8.6800 -19.8800
36 C1a C 9.3100 -22.1900
37 C1x C 16.3100 -14.2800
38 S2x S 16.3100 -22.4700
39 O7x O 17.5000 -13.5800
40 C7x C 17.5000 -12.1800
41 O6a O 16.2400 -11.5500
42 C1a C 21.1400 -18.4800
43 C1x C 23.8000 -22.4700
44 O7a O 18.7600 -19.8800
45 C7a C 19.9500 -20.5800
46 C1a C 21.1400 -19.8800
47 O6a O 19.9500 -21.9800
48 N4x N 25.4462 -14.0431
49 C8y C 26.8049 -14.0785
50 C8y C 27.2584 -12.7972
51 C8x C 27.7143 -15.1429
52 C8x C 29.0908 -14.8876
53 C8y C 29.5443 -13.6063
54 C8x C 28.6349 -12.5419
55 O2a O 30.9211 -13.3509
56 C1a C 31.8479 -14.4357
BOND 65
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 7 1
15 13 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 12 18 2
20 10 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 9 22 1
25 20 23 2
26 23 24 1
27 24 25 2
28 25 26 1
29 21 26 2
30 25 27 1
31 27 28 1
32 28 29 1
33 26 29 1
34 8 30 1 #Down
35 7 31 1 #Up
36 11 31 1 #Up
37 31 32 1
38 18 33 1
39 17 34 1
40 16 35 1
41 34 36 1
42 22 37 1 #Up
43 19 38 1 #Up
44 37 39 1
45 39 40 1
46 40 41 2
47 24 42 1
48 1 40 1 #Down
49 1 43 1 #Up
50 38 43 1
51 23 44 1
52 44 45 1
53 45 46 1
54 45 47 2
55 2 48 1
56 48 49 1
57 49 50 1
58 3 50 1
59 49 51 2
60 51 52 1
61 52 53 2
62 53 54 1
63 50 54 2
64 53 55 1
65 55 56 1