Stem definition | Drug id | CAS RN |
---|---|---|
antivirals bicyclic heterocycle compounds | 85 | 59277-89-3 |
Dose | Unit | Route |
---|---|---|
4 | g | O |
4 | g | P |
Property | Value | Reference |
---|---|---|
EoM (Fraction excreted unchanged in urine) | 75 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 59.06 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
CL (Clearance) | 4.70 mL/min/kg | Lombardo F, Berellini G, Obach RS |
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 4 | Benet LZ, Broccatelli F, Oprea TI |
BA (Bioavailability) | 22.50 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
t_half (Half-life) | 2.50 hours | Lombardo F, Berellini G, Obach RS |
S (Water solubility) | 1.62 mg/mL | Bocci G, Oprea TI, Benet LZ |
fu (Fraction unbound in plasma) | 0.85 % | Lombardo F, Berellini G, Obach RS |
Vd (Volume of distribution) | 0.71 L/kg | Lombardo F, Berellini G, Obach RS |
MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
---|---|---|---|---|---|---|
Plasma cell myeloma | 1527.60 | 10.15 | 996 | 151864 | 34909 | 63301253 |
White blood cell count decreased | 825.74 | 10.15 | 1318 | 151542 | 137786 | 63198376 |
Febrile neutropenia | 793.57 | 10.15 | 1187 | 151673 | 117262 | 63218900 |
Platelet count decreased | 590.65 | 10.15 | 1027 | 151833 | 115095 | 63221067 |
Neuropathy peripheral | 555.70 | 10.15 | 988 | 151872 | 112679 | 63223483 |
Lymphocyte count decreased | 509.75 | 10.15 | 486 | 152374 | 29771 | 63306391 |
Neutropenia | 469.84 | 10.15 | 1191 | 151669 | 173814 | 63162348 |
Contraindicated product administered | 463.82 | 10.15 | 13 | 152847 | 217635 | 63118527 |
Neutrophil count decreased | 448.94 | 10.15 | 614 | 152246 | 55792 | 63280370 |
Rheumatoid arthritis | 447.17 | 10.15 | 46 | 152814 | 253773 | 63082389 |
MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
---|---|---|---|---|---|---|
Plasma cell myeloma | 1393.68 | 10.96 | 1211 | 133182 | 40826 | 34781712 |
White blood cell count decreased | 521.46 | 10.96 | 1140 | 133253 | 94305 | 34728233 |
Pneumonia | 502.78 | 10.96 | 2726 | 131667 | 359901 | 34462637 |
Neuropathy peripheral | 499.23 | 10.96 | 1033 | 133360 | 82230 | 34740308 |
Febrile neutropenia | 494.24 | 10.96 | 1395 | 132998 | 135454 | 34687084 |
Platelet count decreased | 450.48 | 10.96 | 1239 | 133154 | 118478 | 34704060 |
Cytokine release syndrome | 377.96 | 10.96 | 453 | 133940 | 22424 | 34800114 |
Drug abuse | 354.84 | 10.96 | 5 | 134388 | 99091 | 34723447 |
Full blood count decreased | 335.24 | 10.96 | 380 | 134013 | 17708 | 34804830 |
Pyrexia | 319.24 | 10.96 | 2279 | 132114 | 330734 | 34491804 |
MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
---|---|---|---|---|---|---|
Plasma cell myeloma | 2168.06 | 10.17 | 1521 | 221207 | 51738 | 79469922 |
Febrile neutropenia | 1281.36 | 10.17 | 2305 | 220423 | 228694 | 79292966 |
White blood cell count decreased | 920.97 | 10.17 | 1781 | 220947 | 186507 | 79335153 |
Platelet count decreased | 871.03 | 10.17 | 1774 | 220954 | 192890 | 79328770 |
Pneumonia | 776.23 | 10.17 | 3767 | 218961 | 656479 | 78865181 |
Cytokine release syndrome | 744.20 | 10.17 | 692 | 222036 | 35306 | 79486354 |
Neutropenia | 744.09 | 10.17 | 2120 | 220608 | 285590 | 79236070 |
Neutrophil count decreased | 614.89 | 10.17 | 1010 | 221718 | 92949 | 79428711 |
Pyrexia | 607.94 | 10.17 | 3595 | 219133 | 675114 | 78846546 |
Neurotoxicity | 549.97 | 10.17 | 560 | 222168 | 31958 | 79489702 |
None
Source | Code | Description |
---|---|---|
ATC | D06BB03 | DERMATOLOGICALS ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE CHEMOTHERAPEUTICS FOR TOPICAL USE Antivirals |
ATC | D06BB53 | DERMATOLOGICALS ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE CHEMOTHERAPEUTICS FOR TOPICAL USE Antivirals |
ATC | J05AB01 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIVIRALS FOR SYSTEMIC USE DIRECT ACTING ANTIVIRALS Nucleosides and nucleotides excl. reverse transcriptase inhibitors |
ATC | S01AD03 | SENSORY ORGANS OPHTHALMOLOGICALS ANTIINFECTIVES Antivirals |
CHEBI has role | CHEBI:35221 | antimetabolite |
CHEBI has role | CHEBI:36044 | antiviral drugs |
FDA EPC | N0000175468 | Herpesvirus Nucleoside Analog DNA Polymerase Inhibitor |
FDA EPC | N0000180187 | Herpes Simplex Virus Nucleoside Analog DNA Polymerase Inhibitor |
FDA EPC | N0000180188 | Herpes Zoster Virus Nucleoside Analog DNA Polymerase Inhibitor |
FDA EXT | N0000175459 | Nucleoside Analog |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Herpes labialis | indication | 1475003 | |
Herpes zoster | indication | 4740000 | DOID:8536 |
Genital herpes simplex | indication | 33839006 | DOID:8704 |
Varicella | indication | 38907003 | DOID:8659 |
Herpes simplex | indication | 88594005 | DOID:8566 |
Herpes simplex infection of skin | indication | 240475000 | |
Recurrent herpes simplex labialis | indication | 402892009 | |
Recurrent genital herpes simplex | indication | 402894005 | |
Encephalitis due to Herpesvirus | indication | 428638009 | |
Recurrent Mucocutaneous Herpes Simplex | indication |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 8.97 | acidic |
pKa2 | 13.01 | acidic |
pKa3 | 3.83 | Basic |
pKa4 | 2.12 | Basic |
Formulation strength | Trade name | Applicant | Application number | Approval date | Type | Dose form | Route | Patent number | Patent expiration date | Patent use |
---|---|---|---|---|---|---|---|---|---|---|
50MG | SITAVIG | EPI HLTH | N203791 | April 12, 2013 | RX | TABLET | BUCCAL | 8791127 | March 23, 2027 | TREATMENT OF HERPES LABIALIS |
50MG | SITAVIG | EPI HLTH | N203791 | April 12, 2013 | RX | TABLET | BUCCAL | 8747896 | June 3, 2027 | TREATMENT OF HERPES LABIALIS |
50MG | SITAVIG | EPI HLTH | N203791 | April 12, 2013 | RX | TABLET | BUCCAL | 8592434 | June 16, 2030 | TREATMENT OF HERPES LABIALIS |
Formulation strength | Trade name | Applicant | Application number | Approval date | Type | Dose form | Route | Exclusivity date | Description |
---|---|---|---|---|---|---|---|---|---|
3% **Federal Register determination that product was not discontinued or withdrawn for safety or effectiveness reasons** | AVACLYR | FERA PHARMS LLC | N202408 | March 29, 2019 | DISCN | OINTMENT | OPHTHALMIC | March 29, 2026 | INDICATED FOR THE TREATMENT OF ACUTE HERPETIC KERATITIS (DENDRITIC ULCERS) IN PATIENTS WITH HERPES SIMPLEX (HSV-1 AND HSV-2) VIRUS |
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Purine nucleoside phosphorylase | Enzyme | Ki | 4.04 | CHEMBL | |||||
DNA polymerase catalytic subunit | Enzyme | INHIBITOR | DRUG LABEL | DRUG LABEL | |||||
DNA polymerase catalytic subunit | Enzyme | INHIBITOR | WOMBAT-PK | DRUG LABEL | |||||
Thymidine kinase | Kinase | INHIBITOR | WOMBAT-PK | DRUG LABEL | |||||
Thymidine kinase | Kinase | INHIBITOR | WOMBAT-PK | DRUG LABEL | |||||
Thymidine kinase | Kinase | WOMBAT-PK | |||||||
Purine nucleoside phosphorylase | Enzyme | Kd | 4.90 | CHEMBL |
ID | Source |
---|---|
003016 | NDDF |
003017 | NDDF |
135398513 | PUBCHEM_CID |
14023 | MMSL |
152535 | RXNORM |
1579 | MMSL |
372729009 | SNOMEDCT_US |
4018781 | VUID |
4018781 | VANDF |
4018782 | VANDF |
Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
---|---|---|---|---|---|---|---|---|
Acyclovir | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0093-3630 | CREAM | 50 mg | TOPICAL | NDA authorized generic | 26 sections |
Acyclovir | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0143-9657 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 500 mg | INTRAVENOUS | ANDA | 23 sections |
Acyclovir | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0143-9658 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 1 g | INTRAVENOUS | ANDA | 23 sections |
acyclovir | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0168-0825 | OINTMENT | 50 mg | TOPICAL | ANDA | 22 sections |
Acyclovir | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0378-8700 | OINTMENT | 50 mg | TOPICAL | ANDA | 20 sections |
Acyclovir | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0378-8700 | OINTMENT | 50 mg | TOPICAL | ANDA | 20 sections |
Acyclovir | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0378-8712 | SUSPENSION | 200 mg | ORAL | NDA authorized generic | 20 sections |
Acyclovir | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0378-8712 | SUSPENSION | 200 mg | ORAL | NDA authorized generic | 20 sections |
acyclovir | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0440-7033 | TABLET | 800 mg | ORAL | ANDA | 22 sections |
Acyclovir | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0472-0082 | SUSPENSION | 200 mg | ORAL | ANDA | 19 sections |