| 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
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG02924 UGT substrate
DG03188 UGT1A9 substrate
Transporter substrate
DG01665 ABCB1 substrate
DG01913 ABCG2 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
L01E PROTEIN KINASE INHIBITORS
L01EX Other protein kinase inhibitors
L01EX05 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)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG00720 Regorafenib
D10137 Regorafenib hydrate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00720 Regorafenib
D10137 Regorafenib hydrate
DG02924 UGT substrate
DG03188 UGT1A9 substrate
DG00720 Regorafenib
D10137 Regorafenib hydrate
Transporter substrate
DG01665 ABCB1 substrate
DG00720 Regorafenib
D10137 Regorafenib hydrate
DG01913 ABCG2 substrate
DG00720 Regorafenib
D10137 Regorafenib hydrate
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
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG00720 Regorafenib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00720 Regorafenib
DG02924 UGT substrate
DG03188 UGT1A9 substrate
DG00720 Regorafenib
Transporter substrate
DG01665 ABCB1 substrate
DG00720 Regorafenib
DG01913 ABCG2 substrate
DG00720 Regorafenib
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| 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
|
|---|
