Entry |
|
Name |
Raltegravir (INN); MK-0518 |
Formula |
C20H21FN6O5
|
Exact mass |
444.1557
|
Mol weight |
444.4163
|
Structure |
|
Simcomp |
|
Class |
Antiviral
DG03107 Anti-HIV agent
DG03135 HIV integrase inhibitor
Metabolizing enzyme substrate
DG02924 UGT substrate
DG03183 UGT1A1 substrate
|
Remark |
Product (DG00666): | D07133<JP/US> |
|
Efficacy |
Antiviral, HIV integrase inhibitor |
Target |
|
Pathway |
|
Metabolism |
Enzyme: UGT1A1 [HSA: 54658]
|
Interaction |
|
Structure map |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
J ANTIINFECTIVES FOR SYSTEMIC USE
J05 ANTIVIRALS FOR SYSTEMIC USE
J05A DIRECT ACTING ANTIVIRALS
J05AJ Integrase inhibitors
J05AJ01 Raltegravir
D06676 Raltegravir (INN)
Drug groups [BR:br08330]
Antiviral
DG03107 Anti-HIV agent
DG03135 HIV integrase inhibitor
DG00666 Raltegravir
D06676 Raltegravir
Metabolizing enzyme substrate
DG02924 UGT substrate
DG03183 UGT1A1 substrate
DG00666 Raltegravir
D06676 Raltegravir
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HIV integrase inhibitor
D06676 Raltegravir (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D06676
Drug groups [BR:br08330]
Antiviral
DG03107 Anti-HIV agent
DG03135 HIV integrase inhibitor
DG00666 Raltegravir
Metabolizing enzyme substrate
DG02924 UGT substrate
DG03183 UGT1A1 substrate
DG00666 Raltegravir
Antimicrobials abbreviations [BR:br08327]
Antivirals
Genome replication inhibitor
HIV integrase inhibitor
DG00666 Raltegravir
|
Other DBs |
|
KCF data |
ATOM 32
1 C8y C 13.8344 -20.3696
2 C5a C 15.0467 -19.6696
3 N1b N 16.2591 -20.3696
4 C1d C 17.4716 -19.6696
5 C8y C 18.6839 -20.3696
6 N5x N 19.8963 -19.6696
7 C8y C 21.1088 -20.3696
8 C5a C 22.3211 -19.6696
9 N1b N 23.5336 -20.3696
10 C1b C 24.7459 -19.6696
11 C8y C 25.9583 -20.3696
12 C8x C 27.1708 -19.6696
13 C8x C 28.3831 -20.3696
14 N4y N 18.6839 -21.7695
15 C8y C 19.8963 -22.4695
16 C8y C 21.1088 -21.7695
17 C8x C 25.9583 -21.7695
18 C8x C 27.1708 -22.4695
19 C8y C 28.3831 -21.7695
20 O5a O 22.3211 -18.2696
21 O5x O 19.8963 -23.8694
22 C1a C 17.4756 -22.4672
23 O1a O 22.3438 -22.4829
24 C1a C 16.6300 -18.5723
25 C1a C 18.1715 -18.4572
26 O5a O 15.0467 -18.2696
27 O2x O 12.6959 -19.5594
28 C8y C 11.5697 -20.3909
29 N5x N 12.0122 -21.7190
30 N5x N 13.4122 -21.7083
31 C1a C 10.2106 -19.9609
32 X F 29.5697 -22.4550
BOND 34
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 2
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 2
12 12 13 1
13 5 14 1
14 14 15 1
15 15 16 1
16 16 7 2
17 11 17 1
18 17 18 2
19 18 19 1
20 19 13 2
21 8 20 2
22 15 21 2
23 14 22 1
24 16 23 1
25 4 24 1
26 4 25 1
27 2 26 2
28 1 27 1
29 27 28 1
30 28 29 2
31 29 30 1
32 1 30 2
33 28 31 1
34 19 32 1
|