| Entry |
|
|---|
| Name |
Delavirdine (INN) |
|---|
| Formula |
C22H28N6O3S
|
|---|
| Exact mass |
456.1944
|
|---|
| Mol weight |
456.5611
|
|---|
| Structure |
|
|---|
| 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 |
|---|
| Target |
HIV-1 reverse transcriptase [KO: K24802] |
|---|
| Pathway |
|
|---|
| Metabolism |
|
|---|
| Interaction |
|
|---|
| 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
D07782 Delavirdine (INN)
Drug groups [BR:br08330]
Antiviral
DG01889 Non-nucleoside reverse transcriptase inhibitor (NNRTI)
DG00662 Delavirdine
D07782 Delavirdine
DG03107 Anti-HIV agent
DG01656 HIV reverse transcriptase inhibitor
DG00662 Delavirdine
D07782 Delavirdine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG00662 Delavirdine
D07782 Delavirdine
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG00662 Delavirdine
D07782 Delavirdine
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HIV reverse transcriptase inhibitor
D07782 Delavirdine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07782
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
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 32
1 C8y C 19.0776 -16.6954
2 N1y N 20.2700 -17.3968
3 C8y C 17.8852 -17.4670
4 N5x N 19.0774 -15.3628
5 C1x C 20.2701 -18.7997
6 C1x C 21.4624 -16.6954
7 C8x C 16.6225 -16.7656
8 N1b N 17.8850 -18.8698
9 C8x C 17.8150 -14.6613
10 C1x C 21.5325 -19.4309
11 C1x C 22.6548 -17.3267
12 C8x C 16.6226 -15.3628
13 C1c C 16.6928 -19.5712
14 N1y N 22.7249 -18.7295
15 C1a C 16.6929 -20.9740
16 C1a C 15.5004 -18.8698
17 C5a C 23.9173 -19.4309
18 C8y C 25.1097 -18.6594
19 O5a O 23.9174 -20.7636
20 C8x C 25.1098 -17.2566
21 N4x N 26.4424 -19.1504
22 C8y C 26.5125 -16.9059
23 C8y C 27.3542 -18.0281
24 C8x C 28.7570 -18.0281
25 C8x C 29.4584 -16.7656
26 C8y C 28.7570 -15.5732
27 C8x C 27.3542 -15.5732
28 N1b N 29.4584 -14.3808
29 S4a S 30.8613 -14.3808
30 C1a C 32.2641 -14.3808
31 O3c O 30.8613 -12.9780
32 O3c O 30.8613 -15.7836
BOND 35
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
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