| Entry |
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|---|---|---|---|---|---|---|---|---|---|
| Name | Daclatasvir dihydrochloride (USAN); Daclatasvir hydrochloride (JAN); Daklinza (TN) | ||||||||
| Formula | C40H50N8O6. 2HCl | ||||||||
| Exact mass | 810.3387 | ||||||||
| Mol weight | 811.7969 | ||||||||
| Structure |  | ||||||||
| Simcomp | |||||||||
| Class | Antiviral DG03198 Anti-HCV agent DG01999 HCV NS5A inhibitor Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate Metabolizing enzyme inhibitor DG02852 CYP3A/CYP3A4 inhibitor DG02887 UGT1A1 inhibitor Transporter substrate DG01665 ABCB1 substrate | ||||||||
| Remark |
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| Efficacy | Antiviral, NS5A inhibitor | ||||||||
| Target | HCV NS5A [KO:K22275] | ||||||||
| Pathway |
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| Metabolism | Enzyme: CYP3A4 [HSA:1576] Transporter: ABCB1 [HSA:5243] | ||||||||
| Interaction | CYP inhibition: CYP3A [HSA:1576 1577 1551] Enzyme inhibition: UGT1A1 [HSA:54658] | ||||||||
| Brite | Anatomical Therapeutic Chemical (ATC) classification [BR:br08303] J ANTIINFECTIVES FOR SYSTEMIC USE J05 ANTIVIRALS FOR SYSTEMIC USE J05A DIRECT ACTING ANTIVIRALS J05AP Antivirals for treatment of HCV infections J05AP07 Daclatasvir D10105 Daclatasvir dihydrochloride (USAN) Drug groups [BR:br08330] Antiviral DG03198 Anti-HCV agent DG01999 HCV NS5A inhibitor DG01669 Daclatasvir D10105 Daclatasvir dihydrochloride Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate DG01669 Daclatasvir D10105 Daclatasvir dihydrochloride Metabolizing enzyme inhibitor DG02852 CYP3A/CYP3A4 inhibitor DG01669 Daclatasvir D10105 Daclatasvir dihydrochloride DG02887 UGT1A1 inhibitor DG01669 Daclatasvir D10105 Daclatasvir dihydrochloride Transporter substrate DG01665 ABCB1 substrate DG01669 Daclatasvir D10105 Daclatasvir dihydrochloride Antimicrobials [BR:br08307] Antivirals Genome replication inhibitor HCV NS5A/NS5B inhibitor D10105 Daclatasvir dihydrochloride (USAN) New drug approvals in the USA [br08319.html] New molecular entities and new therapeutic biological products D10105 New drug approvals in Europe [br08329.html] European public assessment reports (EPAR) authorised medicine D10105 New drug approvals in Japan [br08318.html] Drugs with new active ingredients D10105 New drug approvals in the USA, Europe and Japan [br08328.html] Approval dates by FDA, EMA and PMDA D10105 Drug metabolizing enzymes and transporters [br08309.html] Drug metabolizing enzymes D10105 Drug transporters D10105 Pharmacogenomic biomarkers [br08341.html] Polymorphisms and mutations affecting drug response D10105 Drug groups [BR:br08330] Antiviral DG03198 Anti-HCV agent DG01999 HCV NS5A inhibitor DG01669 Daclatasvir Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate DG01669 Daclatasvir Metabolizing enzyme inhibitor DG02852 CYP3A/CYP3A4 inhibitor DG01669 Daclatasvir DG02887 UGT1A1 inhibitor DG01669 Daclatasvir Transporter substrate DG01665 ABCB1 substrate DG01669 Daclatasvir Antimicrobials abbreviations [BR:br08327] Antivirals Genome replication inhibitor HCV NS5A/NS5B inhibitor DG01669 Daclatasvir | ||||||||
| Other DBs |
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| KCF data | ATOM 56 1 C8x C 21.4200 -21.4900 2 C8y C 21.4200 -22.8900 3 C8x C 22.6100 -23.5900 4 C8x C 23.8700 -22.8900 5 C8y C 23.8700 -21.4900 6 C8x C 22.6100 -20.7900 7 C8y C 25.0600 -20.7900 8 C8x C 26.3200 -21.4900 9 C8x C 27.5800 -20.7900 10 C8y C 27.5800 -19.3900 11 C8x C 26.3900 -18.6900 12 C8x C 25.0600 -19.3900 13 C8y C 20.2300 -23.5900 14 C8x C 18.9000 -23.1700 15 N5x N 18.0600 -24.3600 16 C8y C 18.9000 -25.4800 17 N4x N 20.2300 -25.0600 18 C8y C 28.7700 -18.6900 19 C8x C 30.1000 -19.1100 20 N5x N 30.9400 -17.9200 21 C8y C 30.1000 -16.8000 22 N4x N 28.7700 -17.2900 23 C1y C 30.5200 -15.4700 24 N1y N 31.8500 -15.0500 25 C1x C 31.8500 -13.6500 26 C1x C 30.5200 -13.2300 27 C1x C 29.6800 -14.3500 28 C5a C 33.0400 -15.7500 29 O5a O 34.2300 -15.0500 30 C1c C 33.0400 -17.1500 31 N1b N 31.8500 -17.8500 32 C1c C 34.2300 -17.8500 33 C7a C 31.8500 -19.2500 34 O7a O 30.6600 -19.9500 35 O6a O 33.0400 -19.9500 36 C1a C 30.6600 -21.3500 37 C1a C 35.4200 -17.1500 38 C1a C 34.2300 -19.2500 39 C1y C 18.4800 -26.8100 40 N1y N 17.1500 -27.2300 41 C1x C 17.1500 -28.6300 42 C1x C 18.4800 -29.0500 43 C1x C 19.3200 -27.9300 44 C5a C 15.9600 -26.5300 45 O5a O 14.7700 -27.2300 46 C1c C 15.9600 -25.1300 47 C1c C 14.7700 -24.4300 48 N1b N 17.2200 -24.4300 49 C7a C 17.2200 -22.9600 50 O7a O 18.4100 -22.3300 51 O6a O 15.9600 -22.2600 52 C1a C 18.4100 -20.9300 53 C1a C 13.5800 -25.0600 54 C1a C 14.7700 -22.9600 55 X Cl 27.9300 -25.9700 56 X Cl 27.9300 -28.1400 BOND 59 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 5 7 1 8 7 8 2 9 8 9 1 10 9 10 2 11 10 11 1 12 11 12 2 13 7 12 1 14 2 13 1 15 13 14 2 16 14 15 1 17 15 16 2 18 16 17 1 19 13 17 1 20 10 18 1 21 18 19 2 22 19 20 1 23 20 21 2 24 21 22 1 25 18 22 1 26 23 21 1 #Down 27 23 24 1 28 24 25 1 29 25 26 1 30 26 27 1 31 23 27 1 32 24 28 1 33 28 29 2 34 28 30 1 35 30 31 1 36 30 32 1 #Down 37 31 33 1 38 33 34 1 39 33 35 2 40 34 36 1 41 32 37 1 42 32 38 1 43 39 16 1 #Down 44 39 40 1 45 40 41 1 46 41 42 1 47 42 43 1 48 39 43 1 49 44 40 1 50 44 45 2 51 44 46 1 52 46 47 1 #Down 53 46 48 1 54 48 49 1 55 49 50 1 56 49 51 2 57 50 52 1 58 47 53 1 59 47 54 1 |