| Entry |
|
|---|
| Name |
Regorafenib hydrate (JAN);
Stivarga (TN)
|
|---|
| Product |
|
|---|
| Formula |
C21H15ClF4N4O3. H2O
|
|---|
| Exact mass |
500.0874
|
|---|
| Mol weight |
500.8307
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
Metabolizing enzyme substrate
DG02913 CYP3A4 substrate
DG02924 UGT substrate
Transporter substrate
DG01665 ABCB1 (P-GP) substrate
DG01913 ABCG2 (BCRP) substrate
|
|---|
| Remark |
| Therapeutic category: | 4291 |
| Product (DG00720): | D10137<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
|---|
| Disease |
Colorectal cancer [DS: H00020] Gastrotintestinal stromal tumor [DS: H01591] Hepatocellular carcinoma [DS: H00048] |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576], UGT1A9 [HSA: 54600]
Transporter: ABCB1 [HSA: 5243], ABCG2 [HSA: 9429]
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01X OTHER ANTINEOPLASTIC AGENTS
L01XE Protein kinase inhibitors
L01XE21 Regorafenib
D10137 Regorafenib hydrate (JAN) <JP/US>
USP drug classification [BR:br08302]
Antineoplastics
Molecular Target Inhibitors
Regorafenib
D10137 Regorafenib hydrate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
4 Agents affecting cellular function
42 Antineoplastics
429 Miscellaneous
4291 Other Antitumors
D10137 Regorafenib hydrate (JAN)
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
TKL group
BRAF
D10137 Regorafenib hydrate (JAN) <JP/US>
RAF1
D10137 Regorafenib hydrate (JAN) <JP/US>
Receptor tyrosine kinases (RTK)
PDGFR family
PDGFRB
D10137 Regorafenib hydrate (JAN) <JP/US>
KIT (CD117)
D10137 Regorafenib hydrate (JAN) <JP/US>
FGFR family
FGFR1 (CD331)
D10137 Regorafenib hydrate (JAN) <JP/US>
VEGFR family
VEGFR1 (FLT1)
D10137 Regorafenib hydrate (JAN) <JP/US>
VEGFR2 (KDR)
D10137 Regorafenib hydrate (JAN) <JP/US>
VEGFR3 (FLT4)
D10137 Regorafenib hydrate (JAN) <JP/US>
TIE family
TEK (TIE2, CD202)
D10137 Regorafenib hydrate (JAN) <JP/US>
RET family
RET
D10137 Regorafenib hydrate (JAN) <JP/US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D10137
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D10137
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
D10137
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D10137
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10137
Drug transporters
D10137
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 34
1 O0 O 24.5000 -22.8200
2 C8y C 23.1700 -19.3900
3 C8x C 23.1700 -20.7900
4 C8x C 21.9100 -21.4900
5 C8y C 20.7200 -20.7900
6 C8x C 20.7200 -19.3900
7 C8y C 21.9100 -18.6900
8 X Cl 24.3600 -18.6900
9 N1b N 19.4600 -21.4900
10 C5a C 18.2700 -20.7900
11 N1b N 17.0800 -21.4900
12 O5a O 18.2700 -19.3900
13 C8y C 15.8900 -20.7900
14 C8y C 14.7000 -21.4900
15 C8x C 13.4400 -20.7900
16 C8y C 13.4400 -19.3900
17 C8x C 14.6300 -18.6900
18 C8x C 15.8900 -19.3900
19 O2a O 12.2500 -18.6900
20 C8y C 11.0600 -19.3900
21 C8x C 11.0600 -20.7900
22 C8x C 9.8000 -21.4900
23 N5x N 8.6100 -20.7900
24 C8y C 8.6100 -19.3200
25 C8x C 9.8000 -18.6200
26 C5a C 7.4200 -18.6900
27 N1b N 6.1600 -19.3900
28 O5a O 7.4200 -17.2900
29 C1a C 4.9700 -18.6900
30 X F 14.7000 -22.8900
31 C1d C 21.8928 -17.2901
32 X F 21.8928 -15.8901
33 X F 20.4928 -17.2901
34 X F 23.2928 -17.2901
BOND 35
1 2 3 2
2 3 4 1
3 4 5 2
4 5 6 1
5 6 7 2
6 2 7 1
7 2 8 1
8 5 9 1
9 9 10 1
10 10 11 1
11 10 12 2
12 11 13 1
13 13 14 2
14 14 15 1
15 15 16 2
16 16 17 1
17 17 18 2
18 13 18 1
19 16 19 1
20 19 20 1
21 20 21 2
22 21 22 1
23 22 23 2
24 23 24 1
25 24 25 2
26 20 25 1
27 24 26 1
28 26 27 1
29 26 28 2
30 27 29 1
31 14 30 1
32 7 31 1
33 31 32 1
34 31 33 1
35 31 34 1
|
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