| Entry |
|
|---|
| Name |
Etravirine (JAN/USAN/INN);
Intelence (TN) |
|---|
| Product |
|
|---|
| Formula |
C20H15BrN6O
|
|---|
| Exact mass |
434.0491
|
|---|
| Mol weight |
435.2767
|
|---|
| Structure |
|
|---|
| Class |
Antiviral
DG01889 Non-nucleoside reverse transcriptase inhibitor (NNRTI)
DG01656 HIV reverse transcriptase inhibitor
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG01639 CYP2C19 substrate
DG02913 CYP3A4 substrate
Metabolizing enzyme inhibitor
DG01643 CYP2C9 inhibitor
DG01933 CYP2C19 inhibitor
Metabolizing enzyme inducer
DG01635 CYP3A4 inducer
Transporter inhibitor
DG01622 ABCB1 (P-GP) inhibitor
|
|---|
| Remark |
| Therapeutic category: | 6250 |
|
|---|
| Efficacy |
Antiviral, Reverse transcriptase inhibitor |
|---|
| Disease |
|
|---|
| Target |
RNA-directed DNA polymerase |
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576], CYP2C9 [HSA: 1559], CYP2C19 [HSA: 1557]
|
|---|
| Interaction |
CYP inhibition: CYP2C9 [HSA: 1559], CYP2C19 [HSA: 1557]
CYP induction: CYP3A4 [HSA: 1576]
Transporter inhibition: ABCB1 [HSA: 5243]
|
|---|
| Structure map |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
J ANTIINFECTIVES FOR SYSTEMIC USE
J05 ANTIVIRALS FOR SYSTEMIC USE
J05A DIRECT ACTING ANTIVIRALS
J05AG Non-nucleoside reverse transcriptase inhibitors
J05AG04 Etravirine
D04112 Etravirine (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
Antivirals
Anti-HIV Agents, Non-nucleoside Reverse Transcriptase Inhibitors (NNRTI)
Etravirine
D04112 Etravirine (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
6 Agents against pathologic organisms and parasites
62 Chemotherapeutics
625 Antivirals
6250 Antivirals
D04112 Etravirine (JAN/USAN/INN)
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D04112
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D04112
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
D04112
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D04112
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D04112
Drug transporters
D04112
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| Other DBs |
|
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| KCF data |
ATOM 28
1 O2a O 26.3574 -14.2326
2 C8y C 28.2546 -13.5413
3 N5x N 29.4434 -14.2276
4 C8y C 30.6574 -13.5268
5 N5x N 30.6575 -12.1249
6 C8y C 29.4687 -11.4385
7 C8y C 28.2547 -12.1394
8 X Br 27.0154 -11.4238
9 N1a N 29.4686 -10.0270
10 N1b N 31.8902 -14.2386
11 C8y C 33.0928 -13.5444
12 C8x C 34.2788 -14.2292
13 C8x C 35.4928 -13.5284
14 C8y C 35.4929 -12.1265
15 C8x C 34.3069 -11.4416
16 C8x C 33.0929 -12.1425
17 C3b C 36.7229 -11.4163
18 N3a N 37.9369 -10.7154
19 C8y C 24.4602 -13.5409
20 C8y C 24.4613 -12.1104
21 C8x C 23.2494 -11.4094
22 C8y C 22.0364 -12.1085
23 C8x C 22.0354 -13.5391
24 C8y C 23.2473 -14.2400
25 C3b C 20.8354 -11.4138
26 N3a N 19.6229 -10.7138
27 C1a C 23.2461 -15.6100
28 C1a C 25.6507 -11.4246
BOND 30
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 6 7 2
7 2 7 1
8 7 8 1
9 6 9 1
10 4 10 1
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 11 16 1
18 14 17 1
19 17 18 3
20 1 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 19 24 1
27 22 25 1
28 25 26 3
29 24 27 1
30 20 28 1
|
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