| Entry |
|
|---|
| Name |
Irinotecan hydrochloride hydrate (JAN);
Irinotecan hydrochloride (USAN);
CPT 11;
CPT-11;
Campto (TN)
|
|---|
| Product |
|
|---|
| Generic |
IRINOTECAN HYDROCHLORIDE (Areva Pharmaceuticals), IRINOTECAN HYDROCHLORIDE (APP Pharmaceuticals), IRINOTECAN HYDROCHLORIDE (Actavis Pharma), IRINOTECAN HYDROCHLORIDE (Cipla Limited), IRINOTECAN HYDROCHLORIDE (Heritage Pharmaceuticals), IRINOTECAN HYDROCHLORIDE (Hospira Worldwide), IRINOTECAN HYDROCHLORIDE (Sagent Pharmaceuticals), IRINOTECAN HYDROCHLORIDE (Sagent Pharmaceuticals), IRINOTECAN HYDROCHLORIDE (Sandoz), IRINOTECAN HYDROCHLORIDE (Sun Pharma Global FZE), IRINOTECAN HYDROCHLORIDE (Teva Parenteral Medicines), IRINOTECAN HYDROCHLORIDE (West-Ward Pharmaceutical Corp) |
|---|
| Formula |
C33H38N4O6. 3H2O. HCl
|
|---|
| Exact mass |
676.2875
|
|---|
| Mol weight |
677.1848
|
|---|
| Structure |
     |
|---|
| Activity |
|
|---|
| Remark |
Therapeutic category: ATC code: Drug group: |
|---|
| Comment |
Camptothecin [CPD: C01897] derivative
Irinotecan forms cleavable complex with DNA and inhibit DNA synthesis.
|
|---|
| Target |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576], CYP3A5 [HSA: 1577], CYP3A7 [HSA: 1551]
Transporter: ABCB1 [HSA: 5243], ABCG2 [HSA: 9429]
|
|---|
| Interaction |
Genomic biomarker: UGT1A1 [HSA: 54658]
 |
|---|
| Structure map |
| Antineoplastics - agents from natural products |
|
|---|
| Other map |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01X OTHER ANTINEOPLASTIC AGENTS
L01XX Other antineoplastic agents
L01XX19 Irinotecan
D01061 Irinotecan hydrochloride hydrate (JAN); Irinotecan hydrochloride (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
4 Agents affecting cellular function
42 Antineoplastics
424 Plant extract preparations
4240 Plant extract preparations
D01061 Irinotecan hydrochloride hydrate (JAN); Irinotecan hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases
topoisomerase I
Irinotecan
D01061 Irinotecan hydrochloride hydrate (JAN); Irinotecan hydrochloride (USAN)
Antineoplastics [BR:br08308]
Natural products
Topoisomerase I inhibitors
Irinotecan
D01061 Irinotecan hydrochloride hydrate (JAN); Irinotecan hydrochloride (USAN)
Cytochrome P450 interactions [BR:br08309]
Substrates
CYP3A4
Irinotecan
D01061 Irinotecan hydrochloride hydrate (JAN); Irinotecan hydrochloride (USAN)
CYP3A5
Irinotecan
D01061 Irinotecan hydrochloride hydrate (JAN); Irinotecan hydrochloride (USAN)
CYP3A7
Irinotecan
D01061 Irinotecan hydrochloride hydrate (JAN); Irinotecan hydrochloride (USAN)
Phytochemicals used as drugs [BR:br08306]
Alkaloids
Alkaloids derived from tryptophan and anthranillic acid
Quinoline alkaloids
D01061 Irinotecan hydrochloride hydrate (JAN); Irinotecan hydrochloride (USAN)
Genomic biomarkers [br08341.html]
Polymorphisms and germline mutations
D01061
 |
|---|
| Other DBs |
CAS: 136572-09-3 PubChem: DrugBank: LigandBox: |
|---|
| LinkDB |
 |
|---|
| KCF data |
ATOM 47
1 X Cl 6.3178 -11.7757
2 O0 O 10.5410 -11.7757
3 C8y C 12.1100 -7.2100
4 C8x C 12.1100 -8.6100
5 C8x C 13.3224 -9.3100
6 C8y C 14.5349 -8.6100
7 C8y C 14.5349 -7.2100
8 C8x C 13.3224 -6.5100
9 N5x N 15.7473 -9.3100
10 C8y C 16.9597 -8.6100
11 C8y C 16.9597 -7.2100
12 C8y C 15.7473 -6.5100
13 O7a O 10.8976 -6.5100
14 C7a C 9.6851 -7.2100
15 O6a O 9.6851 -8.6100
16 N1y N 8.4540 -6.4990
17 C1x C 8.4543 -5.1101
18 C1x C 7.2420 -4.4098
19 C1y C 6.0294 -5.1095
20 C1x C 6.0291 -6.4984
21 C1x C 7.2414 -7.1987
22 N1y N 4.8103 -4.4053
23 C1x C 4.8107 -3.0101
24 C1x C 3.5985 -2.3098
25 C1x C 2.3859 -3.0094
26 C1x C 2.3854 -4.4045
27 C1x C 3.5977 -5.1049
28 C8y C 18.2912 -9.0426
29 N4y N 19.1141 -7.9100
30 C1x C 18.2912 -6.7774
31 C8y C 20.5100 -7.9100
32 C8y C 21.2100 -9.1224
33 C8y C 20.5196 -10.3179
34 C8x C 19.1103 -10.3180
35 C1z C 21.2195 -11.5304
36 C7x C 22.6195 -11.5306
37 O7x O 23.3099 -10.3351
38 C1x C 22.6100 -9.1226
39 O5x O 21.2100 -6.6976
40 O6a O 23.3254 -12.7534
41 C1b C 15.7473 -5.1100
42 C1a C 14.5369 -4.4112
43 C1b C 19.8195 -11.5304
44 O1a O 21.2195 -12.9500
45 C1a C 19.1121 -12.7636
46 O0 O 10.5410 -11.7757
47 O0 O 10.5410 -11.7757
BOND 49
1 3 4 2
2 4 5 1
3 5 6 2
4 6 7 1
5 7 8 2
6 3 8 1
7 6 9 1
8 9 10 2
9 10 11 1
10 11 12 2
11 7 12 1
12 3 13 1
13 13 14 1
14 14 15 2
15 14 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 16 21 1
22 19 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 22 27 1
29 10 28 1
30 28 29 1
31 29 30 1
32 11 30 1
33 29 31 1
34 31 32 1
35 32 33 2
36 33 34 1
37 33 35 1
38 35 36 1
39 36 37 1
40 37 38 1
41 32 38 1
42 34 28 2
43 31 39 2
44 36 40 2
45 12 41 1
46 41 42 1
47 35 43 1 #Down
48 35 44 1 #Up
49 43 45 1
BRACKET 1 8.6800 -12.7400 8.6800 -10.6400
1 11.0600 -10.6400 11.0600 -12.7400
1 3
ORIGINAL 1 2
REPEAT 1 46 47
|
|---|
