Stem definition | Drug id | CAS RN |
---|---|---|
HIV protease inhibitors | 1437 | 150378-17-9 |
Dose | Unit | Route |
---|---|---|
2.40 | g | O |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 0.02 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 27.21 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 65 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 0.82 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 18 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.36 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 1 hours | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
March 13, 1996 | FDA | MERCK SHARP DOHME |
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 |
---|---|---|---|---|---|---|
Viral mutation identified | 194.38 | 50.56 | 33 | 810 | 1866 | 46683353 |
Drug resistance | 131.06 | 50.56 | 35 | 808 | 17333 | 46667886 |
Virologic failure | 75.20 | 50.56 | 15 | 828 | 2040 | 46683179 |
Pathogen resistance | 69.06 | 50.56 | 17 | 826 | 6043 | 46679176 |
Pregnancy | 54.90 | 50.56 | 20 | 823 | 27117 | 46658102 |
Nephrolithiasis | 54.62 | 50.56 | 21 | 822 | 33030 | 46652189 |
Exposure during pregnancy | 54.37 | 50.56 | 30 | 813 | 108182 | 46577037 |
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 |
---|---|---|---|---|---|---|
Lipodystrophy acquired | 831.84 | 40.00 | 157 | 2356 | 3403 | 29946562 |
Mitochondrial toxicity | 663.58 | 40.00 | 123 | 2390 | 2391 | 29947574 |
Eyelid ptosis | 563.31 | 40.00 | 121 | 2392 | 5067 | 29944898 |
Diplopia | 436.48 | 40.00 | 119 | 2394 | 13653 | 29936312 |
Progressive external ophthalmoplegia | 353.03 | 40.00 | 65 | 2448 | 1201 | 29948764 |
Ophthalmoplegia | 127.52 | 40.00 | 28 | 2485 | 1276 | 29948689 |
Lipoatrophy | 99.92 | 40.00 | 20 | 2493 | 577 | 29949388 |
Extraocular muscle paresis | 92.60 | 40.00 | 18 | 2495 | 445 | 29949520 |
Blood lactic acid increased | 81.93 | 40.00 | 27 | 2486 | 5803 | 29944162 |
Hypertriglyceridaemia | 80.70 | 40.00 | 29 | 2484 | 8069 | 29941896 |
Dysphagia | 75.17 | 40.00 | 51 | 2462 | 56647 | 29893318 |
Virologic failure | 70.78 | 40.00 | 21 | 2492 | 3198 | 29946767 |
Viral mutation identified | 61.54 | 40.00 | 18 | 2495 | 2608 | 29947357 |
Osteonecrosis | 55.30 | 40.00 | 27 | 2486 | 16108 | 29933857 |
Nephrolithiasis | 54.98 | 40.00 | 31 | 2482 | 24779 | 29925186 |
Pathogen resistance | 54.47 | 40.00 | 22 | 2491 | 8388 | 29941577 |
Foetal exposure during pregnancy | 46.03 | 40.00 | 32 | 2481 | 36839 | 29913126 |
Drug resistance | 44.16 | 40.00 | 25 | 2488 | 20108 | 29929857 |
Multiple-drug resistance | 42.82 | 40.00 | 14 | 2499 | 2927 | 29947038 |
Pinealoblastoma | 42.30 | 40.00 | 8 | 2505 | 170 | 29949795 |
Source | Code | Description |
---|---|---|
ATC | J05AE02 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIVIRALS FOR SYSTEMIC USE DIRECT ACTING ANTIVIRALS Protease inhibitors |
MeSH PA | D019380 | Anti-HIV Agents |
MeSH PA | D000890 | Anti-Infective Agents |
MeSH PA | D044966 | Anti-Retroviral Agents |
MeSH PA | D000998 | Antiviral Agents |
MeSH PA | D004791 | Enzyme Inhibitors |
MeSH PA | D017320 | HIV Protease Inhibitors |
MeSH PA | D011480 | Protease Inhibitors |
MeSH PA | D000084762 | Viral Protease Inhibitors |
CHEBI has role | CHEBI:35660 | hiv protease inhibitors |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Human immunodeficiency virus infection | indication | 86406008 | DOID:526 |
Prevention of HIV Infection after Exposure | off-label use | ||
Pyuria | contraindication | 4800001 | DOID:1439 |
Hypercholesterolemia | contraindication | 13644009 | |
Hyperbilirubinemia | contraindication | 14783006 | DOID:2741 |
Cirrhosis of liver | contraindication | 19943007 | DOID:5082 |
Blood in urine | contraindication | 34436003 | |
Hemolytic anemia | contraindication | 61261009 | DOID:583 |
Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
Hyperglycemia | contraindication | 80394007 | DOID:4195 |
Hemophilia | contraindication | 90935002 | |
Kidney stone | contraindication | 95570007 | |
Liver function tests abnormal | contraindication | 166603001 | |
Disease of liver | contraindication | 235856003 | DOID:409 |
Hypertriglyceridemia | contraindication | 302870006 | |
Breastfeeding (mother) | contraindication | 413712001 |
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 9.82 | acidic |
pKa2 | 12.01 | acidic |
pKa3 | 6.96 | Basic |
pKa4 | 3.56 | Basic |
pKa5 | 2.83 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Thromboxane-A synthase | Enzyme | IC50 | 5.73 | DRUG MATRIX | |||||
Substance-K receptor | GPCR | Ki | 5.77 | DRUG MATRIX | |||||
Multidrug and toxin extrusion protein 2 | Transporter | IC50 | 5.11 | CHEMBL | |||||
Multidrug and toxin extrusion protein 1 | Transporter | IC50 | 5.77 | CHEMBL | |||||
Cytochrome P450 3A4 | Enzyme | IC50 | 6.40 | DRUG MATRIX | |||||
Pol polyprotein | Enzyme | INHIBITOR | Ki | 10.15 | CHEMBL | CHEMBL | |||
Gag-Pol polyprotein | Polyprotein | IC50 | 9.22 | WOMBAT-PK | |||||
Protease | Enzyme | Ki | 8.48 | CHEMBL | |||||
Protease | Enzyme | Ki | 9.27 | CHEMBL |
ID | Source |
---|---|
4024026 | VUID |
N0000022031 | NUI |
D00897 | KEGG_DRUG |
180683-37-8 | SECONDARY_CAS_RN |
4020965 | VANDF |
4024026 | VANDF |
C0701105 | UMLSCUI |
CHEBI:44032 | CHEBI |
MK1 | PDB_CHEM_ID |
CHEMBL115 | ChEMBL_ID |
CHEMBL1735 | ChEMBL_ID |
DB00224 | DRUGBANK_ID |
D019469 | MESH_DESCRIPTOR_UI |
5362440 | PUBCHEM_CID |
5W6YA9PKKH | UNII |
114289 | RXNORM |
4875 | MMSL |
6513 | MMSL |
d03985 | MMSL |
005733 | NDDF |
005734 | NDDF |
108695003 | SNOMEDCT_US |
108696002 | SNOMEDCT_US |
372529006 | SNOMEDCT_US |
Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
---|---|---|---|---|---|---|---|---|
CRIXIVAN | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0006-0570 | CAPSULE | 100 mg | ORAL | NDA | 28 sections |
CRIXIVAN | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0006-0571 | CAPSULE | 200 mg | ORAL | NDA | 28 sections |
CRIXIVAN | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0006-0573 | CAPSULE | 400 mg | ORAL | NDA | 28 sections |
CRIXIVAN | HUMAN PRESCRIPTION DRUG LABEL | 1 | 16590-064 | CAPSULE | 400 mg | ORAL | NDA | 28 sections |
CRIXIVAN | HUMAN PRESCRIPTION DRUG LABEL | 1 | 21695-366 | CAPSULE | 400 mg | ORAL | NDA | 27 sections |
CRIXIVAN | HUMAN PRESCRIPTION DRUG LABEL | 1 | 53808-0661 | CAPSULE | 400 mg | ORAL | NDA | 27 sections |