Entry |
|
Name |
Tipifarnib (USAN/INN) |
Formula |
C27H22Cl2N4O
|
Exact mass |
488.1171
|
Mol weight |
489.3958
|
Structure |
|
Efficacy |
Antineoplastic |
Comment |
Treatment of advanced pancreatic cancer, colorectal cancer, and nonsmall cell lung cancer
|
Target |
|
Pathway |
hsa00900 | Terpenoid backbone biosynthesis |
|
Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Alkyl/Aryl transferases
FNT
D03720 Tipifarnib (USAN/INN)
|
Other DBs |
|
KCF data |
ATOM 34
1 C8x C 34.0302 -16.5229
2 C8y C 34.0302 -17.9291
3 C8x C 35.2254 -18.6322
4 C8y C 36.4910 -17.9291
5 C8y C 36.4910 -16.5229
6 C8x C 35.2254 -15.8198
7 C8y C 37.6862 -18.6322
8 C8x C 38.8815 -17.9291
9 C8y C 38.8815 -16.5229
10 N4y N 37.6862 -15.8198
11 C1d C 32.8349 -18.6322
12 C8y C 37.6862 -20.0384
13 C8x C 36.4910 -20.7415
14 C8x C 36.4910 -22.1476
15 C8x C 37.6862 -22.8507
16 C8y C 38.8815 -22.1476
17 C8x C 38.8815 -20.7415
18 X Cl 40.0767 -22.8507
19 O5x O 40.0767 -15.8198
20 C1a C 37.6862 -14.4137
21 C8y C 31.6079 -17.9371
22 C8x C 31.6659 -16.5207
23 C8x C 30.3776 -15.8309
24 C8y C 29.1711 -16.5412
25 C8x C 29.1831 -17.9575
26 C8x C 30.4014 -18.6473
27 X Cl 27.9583 -15.8544
28 C8y C 32.8349 -20.0322
29 N4y N 31.7049 -20.8532
30 C8x C 32.1365 -22.1816
31 N5x N 33.5333 -22.1816
32 C8x C 33.9649 -20.8532
33 C1a C 30.3801 -20.4227
34 N1a N 31.6225 -19.3322
BOND 38
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 5 10 1
12 2 11 1
13 7 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 12 17 1
20 16 18 1
21 9 19 2
22 10 20 1
23 11 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 21 26 1
30 24 27 1
31 11 28 1
32 28 29 1
33 29 30 1
34 30 31 2
35 31 32 1
36 28 32 2
37 29 33 1
38 11 34 1 #Down
|