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| Stem definition | Drug id | CAS RN |
|---|---|---|
| prednisone and prednisolone derivatives | 2250 | 630-67-1 |
None
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 0.22 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BA (Bioavailability) | 82 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,EIF2AK3,ERBB2,GRK2,ITK,MAPK10,MAPK7,MAPKAPK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,TEK | 20 | |||
| kinase-selectivity-class | AXL,GRK2,MAP2K6,TEK | 4 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
| 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 |
|---|---|---|---|---|---|---|
| Urinary retention | 70.63 | 50.69 | 23 | 947 | 37721 | 90589756 |
| Head injury | 62.39 | 50.69 | 20 | 950 | 31168 | 90596309 |
| Hepatocellular injury | 59.69 | 50.69 | 19 | 951 | 28939 | 90598538 |
| 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 |
|---|---|---|---|---|---|---|
| Retinal artery occlusion | 37.30 | 33.86 | 9 | 1011 | 2206 | 42618109 |
| Respiratory alkalosis | 36.80 | 33.86 | 9 | 1011 | 2335 | 42617980 |
| Fixed eruption | 36.39 | 33.86 | 9 | 1011 | 2445 | 42617870 |
| 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 |
|---|---|---|---|---|---|---|
| Hepatocellular injury | 63.69 | 31.61 | 27 | 2112 | 50615 | 110536545 |
| Hepatic cytolysis | 55.10 | 31.61 | 25 | 2114 | 55028 | 110532132 |
| Agranulocytosis | 52.36 | 31.61 | 25 | 2114 | 61735 | 110525425 |
| Cholestasis | 51.32 | 31.61 | 25 | 2114 | 64493 | 110522667 |
| Febrile bone marrow aplasia | 50.02 | 31.61 | 17 | 2122 | 17448 | 110569712 |
| Fixed eruption | 47.97 | 31.61 | 12 | 2127 | 4220 | 110582940 |
| Urinary retention | 46.58 | 31.61 | 24 | 2115 | 69659 | 110517501 |
| Head injury | 44.51 | 31.61 | 20 | 2119 | 42997 | 110544163 |
| Retinal artery occlusion | 42.97 | 31.61 | 11 | 2128 | 4238 | 110582922 |
| Rash maculo-papular | 39.58 | 31.61 | 22 | 2117 | 74200 | 110512960 |
| Bone marrow failure | 36.00 | 31.61 | 19 | 2120 | 57829 | 110529331 |
| Pancreatitis acute | 35.27 | 31.61 | 19 | 2120 | 60255 | 110526905 |
None
| Source | Code | Description |
|---|---|---|
| FDA MoA | N0000175450 | Corticosteroid Hormone Receptor Agonists |
| FDA EPC | N0000175576 | Corticosteroid |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D005938 | Glucocorticoids |
| MeSH PA | D006728 | Hormones |
| MeSH PA | D018931 | Antineoplastic Agents, Hormonal |
| CHEBI has role | CHEBI:22587 | antiviral agent |
| CHEBI has role | CHEBI:33231 | antitubercular agent |
| CHEBI has role | CHEBI:33281 | antimicrobial agent |
| CHEBI has role | CHEBI:35441 | antiinfective agent |
| CHEBI has role | CHEBI:35472 | anti-inflammatory drug |
| CHEBI has role | CHEBI:35476 | antipsychotic agent |
| CHEBI has role | CHEBI:35526 | hypoglycemic agent |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
| CHEBI has role | CHEBI:35703 | xenobiotic |
| CHEBI has role | CHEBI:35705 | immunosuppressive agent |
| CHEBI has role | CHEBI:35816 | leprostatic drug |
| CHEBI has role | CHEBI:35842 | antirheumatic drug |
| CHEBI has role | CHEBI:37962 | adrenergic agent |
| CHEBI has role | CHEBI:39456 | antiglaucoma drug |
| CHEBI has role | CHEBI:49103 | drug metabolite |
| CHEBI has role | CHEBI:49201 | anti-ulcer drug |
| CHEBI has role | CHEBI:50177 | dermatologic drug |
| CHEBI has role | CHEBI:50671 | antithyroid drug |
| CHEBI has role | CHEBI:50748 | antipsoriatic |
| CHEBI has role | CHEBI:53784 | antispasmodic drug |
| CHEBI has role | CHEBI:64946 | anti-HIV agent |
| CHEBI has role | CHEBI:65023 | anti-asthmatic agent |
| CHEBI has role | CHEBI:66981 | ophthalmology drug |
| CHEBI has role | CHEBI:67079 | anti-inflammatory agent |
| CHEBI has role | CHEBI:75835 | anti-anaemic agent |
| CHEBI has role | CHEBI:76595 | nephroprotective agent |
| CHEBI has role | CHEBI:77715 | nasal decongestant |
| CHEBI has role | CHEBI:78298 | environmental contaminant |
| CHEBI has role | CHEBI:231911 | renoprotective agent |
| CHEBI has role | CHEBI:233423 | antifibrotic agent |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.78 | acidic |
| pKa2 | 13.36 | acidic |
None
None
None
| ID | Source |
|---|---|
| D08413 | KEGG_DRUG |
| 3694-41-5 | SECONDARY_CAS_RN |
| 4017988 | VANDF |
| TUA | PDB_CHEM_ID |
| CHEMBL2111103 | ChEMBL_ID |
| CHEMBL2107364 | ChEMBL_ID |
| 181625 | PUBCHEM_CID |
| 268872 | RXNORM |
| 5347 | MMSL |
| 59710 | MMSL |
| d00084 | MMSL |
| 002155 | NDDF |
| 005522 | NDDF |
| 116601002 | SNOMEDCT_US |
| 52388000 | SNOMEDCT_US |
| 897039000 | SNOMEDCT_US |
| C0889299 | UMLSCUI |
| C0032950 | UMLSCUI |
| CHEBI:135823 | CHEBI |
| DB00860 | DRUGBANK_ID |
| 5755 | PUBCHEM_CID |
| 535 | INN_ID |
| D011239 | MESH_DESCRIPTOR_UI |
| SR3YX73FW2 | UNII |
| CHEBI:8378 | CHEBI |
| SR3YX73FW2 | INXIGHT DRUGS |
None