| Entry |
|
|---|
| Name |
Delavirdine mesylate (USAN);
Delavirdine mesilate (JAN);
Rescriptor (TN) |
|---|
| Formula |
C22H28N6O3S. CH4SO3
|
|---|
| Exact mass |
552.1825
|
|---|
| Mol weight |
552.6668
|
|---|
| Structure |
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|---|
| Simcomp |
|
|---|
| Class |
Antiviral
DG01889 Non-nucleoside reverse transcriptase inhibitor (NNRTI)
DG03107 Anti-HIV agent
DG01656 HIV reverse transcriptase inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiviral, Reverse transcriptase inhibitor |
|---|
| Disease |
|
|---|
| Target |
HIV-1 reverse transcriptase [KO: K24802] |
|---|
| Pathway |
|
|---|
| Metabolism |
|
|---|
| Interaction |
|
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| 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
J05AG02 Delavirdine
D00895 Delavirdine mesylate (USAN)
Drug groups [BR:br08330]
Antiviral
DG01889 Non-nucleoside reverse transcriptase inhibitor (NNRTI)
DG00662 Delavirdine
D00895 Delavirdine mesylate
DG03107 Anti-HIV agent
DG01656 HIV reverse transcriptase inhibitor
DG00662 Delavirdine
D00895 Delavirdine mesylate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG00662 Delavirdine
D00895 Delavirdine mesylate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG00662 Delavirdine
D00895 Delavirdine mesylate
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HIV reverse transcriptase inhibitor
D00895 Delavirdine mesylate (USAN)
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
D00895
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D00895
Drug groups [BR:br08330]
Antiviral
DG01889 Non-nucleoside reverse transcriptase inhibitor (NNRTI)
DG00662 Delavirdine
DG03107 Anti-HIV agent
DG01656 HIV reverse transcriptase inhibitor
DG00662 Delavirdine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG00662 Delavirdine
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG00662 Delavirdine
Antimicrobials abbreviations [BR:br08327]
Antivirals
Genome replication inhibitor
HIV reverse transcriptase inhibitor
DG00662 Delavirdine
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 37
1 C8y C 21.4305 -13.9320
2 N1y N 22.6518 -14.5982
3 C8y C 20.2443 -14.6567
4 N5x N 21.4014 -12.5531
5 C1x C 22.6810 -15.9889
6 C1x C 23.8320 -13.8793
7 C8x C 18.9589 -13.9963
8 N1b N 20.2094 -16.0474
9 C8x C 20.1801 -11.8809
10 C1x C 23.8905 -16.6609
11 C1x C 25.0475 -14.5398
12 C8x C 18.9939 -12.6056
13 C1c C 19.0872 -16.7718
14 N1y N 25.0826 -15.9305
15 C1a C 19.1223 -18.1626
16 C1a C 17.8659 -16.1057
17 C5a C 26.2979 -16.6024
18 C8y C 27.4841 -15.8779
19 O5a O 26.3330 -17.9931
20 C8x C 27.5060 -14.4931
21 N4x N 28.8037 -16.3439
22 C8y C 28.8371 -14.0898
23 C8y C 29.6743 -15.2036
24 C8x C 31.0743 -15.2036
25 C8x C 31.7816 -13.9785
26 C8y C 31.0904 -12.7816
27 C8x C 29.6803 -12.7816
28 N1b N 31.7756 -11.5950
29 S4a S 33.1798 -11.5950
30 C1a C 34.5798 -11.5950
31 O1d O 33.1798 -10.2200
32 O1d O 33.1798 -13.0200
33 S4a S 34.6818 -16.9173
34 C1a C 33.2851 -16.9114
35 O1d O 36.0782 -16.9173
36 O1d O 34.6758 -15.5206
37 O1d O 34.6758 -18.3138
BOND 39
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 7 12 1
12 8 13 1
13 10 14 1
14 13 15 1
15 13 16 1
16 14 17 1
17 17 18 1
18 17 19 2
19 18 20 2
20 18 21 1
21 20 22 1
22 21 23 1
23 9 12 2
24 11 14 1
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 27 22 2
31 26 28 1
32 28 29 1
33 29 30 1
34 29 31 2
35 29 32 2
36 33 34 1
37 33 35 1
38 33 36 2
39 33 37 2
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