Entry |
|
Name |
Dapivirine (USAN/INN) |
Formula |
C20H19N5
|
Exact mass |
329.164
|
Mol weight |
329.3984
|
Structure |
|
Simcomp |
|
Class |
Antiviral
DG01889 Non-nucleoside reverse transcriptase inhibitor (NNRTI)
DG03107 Anti-HIV agent
DG01656 HIV reverse transcriptase inhibitor
|
Remark |
|
Efficacy |
Antiviral, Reverse transcriptase inhibitor |
Comment |
HIV transmission prevention
|
Target |
HIV-1 reverse transcriptase [KO: K24802] |
Pathway |
|
Interaction |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
G GENITO URINARY SYSTEM AND SEX HORMONES
G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
G01AX Other antiinfectives and antiseptics
G01AX17 Dapivirine
D11246 Dapivirine (USAN/INN)
Drug groups [BR:br08330]
Antiviral
DG01889 Non-nucleoside reverse transcriptase inhibitor (NNRTI)
D11246 Dapivirine
DG03107 Anti-HIV agent
DG01656 HIV reverse transcriptase inhibitor
D11246 Dapivirine
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HIV reverse transcriptase inhibitor
D11246 Dapivirine (USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 25
1 C8y C 13.7464 -15.1490
2 C8x C 13.7464 -16.5516
3 C8y C 14.9387 -17.2530
4 C8y C 16.2011 -16.5516
5 C8y C 16.2011 -15.1490
6 C8x C 14.9387 -14.4476
7 N1b N 17.3934 -17.2530
8 C8y C 18.6558 -16.5516
9 N5x N 19.7779 -17.2530
10 C8y C 21.0404 -16.5516
11 N5x N 21.0404 -15.1490
12 C8x C 19.8481 -14.4476
13 C8x C 18.6558 -15.1490
14 N1b N 22.3028 -17.2530
15 C8y C 23.4950 -16.5516
16 C8x C 24.6873 -17.2530
17 C8x C 25.8796 -16.5516
18 C8y C 25.8796 -15.1490
19 C8x C 24.6873 -14.4476
20 C8x C 23.4950 -15.1490
21 C1a C 17.3934 -14.4476
22 C3b C 27.1420 -14.4476
23 N3a N 28.3343 -13.7463
24 C1a C 12.5541 -14.4476
25 C1a C 14.9387 -18.6557
BOND 27
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 8 13 2
15 10 14 1
16 14 15 1
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 15 20 2
23 5 21 1
24 18 22 1
25 22 23 3
26 1 24 1
27 3 25 1
|