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| Stem definition | Drug id | CAS RN |
|---|---|---|
| prednisone and prednisolone derivatives | 352 | 5534-02-1 |
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| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 0.06 mg/mL | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 3.706 | High | 0.81 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.951 | High | 0.81 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 65.766 | 10^-6 cm/s | High | 0.81 |
| dh-clint | Dog hepatocyte intrinsic clearance | 67.608 | uL/min/10^6 cells | High | 0.81 |
| dppb | Dog plasma protein binding (% unbound) | 1.570 | % | High | 0.81 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 2.940 | % | High | 0.81 |
| herg | hERG pIC50 | 4.871 | pIC50 | High | 0.81 |
| hh-clint | Human hepatocyte intrinsic clearance | 167.494 | uL/min/10^6 cells | High | 0.81 |
| hlm-clint | Human liver microsomal intrinsic clearance | 256.448 | uL/min/mg protein | High | 0.81 |
| hppb | Human plasma protein binding (% unbound) | 2.010 | % | High | 0.81 |
| kinase-safety-class | ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,MAP3K7,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIK3CG,PIM2,PRKDC,STK33,SYK,TEK,TGFBR1,ZAP70 | 32 | |||
| kinase-selectivity-class | AXL,GRK2,MAP2K6 | 3 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 3.436 | High | 0.81 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 159.588 | High | 0.81 | |
| mppb | Mouse plasma protein binding (% unbound) | 1.770 | High | 0.81 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 13.366 | High | 0.81 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | Moderate | 0.77 | |
| pppb | Pig plasma protein binding (% unbound) | 4.400 | % | High | 0.81 |
| rh-clint | Rat hepatocyte intrinsic clearance | 172.982 | uL/min/10^6 cells | High | 0.81 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 15.790 | % | High | 0.81 |
| rppb | Rat plasma protein binding (% unbound) | 1.350 | % | High | 0.81 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 8.995 | uM | High | 0.81 |
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| Source | Code | Description |
|---|---|---|
| FDA MoA | N0000175450 | Corticosteroid Hormone Receptor Agonists |
| FDA EPC | N0000175576 | Corticosteroid |
| CHEBI has role | CHEBI:35472 | anti-inflammatory drug |
| CHEBI has role | CHEBI:35480 | analgesic |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:35705 | immunosuppressive agent |
| CHEBI has role | CHEBI:35845 | gout suppressant |
| CHEBI has role | CHEBI:39456 | antiglaucoma drug |
| CHEBI has role | CHEBI:49201 | anti-ulcer drug |
| CHEBI has role | CHEBI:50177 | dermatologic drug |
| CHEBI has role | CHEBI:50748 | antipsoriatic |
| CHEBI has role | CHEBI:51177 | antitussive |
| CHEBI has role | CHEBI:65023 | anti-asthmatic agent |
| CHEBI has role | CHEBI:66981 | ophthalmology drug |
| CHEBI has role | CHEBI:77715 | nasal decongestant |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D005938 | Glucocorticoids |
| MeSH PA | D006728 | Hormones |
| MeSH PA | D018927 | Anti-Asthmatic Agents |
| MeSH PA | D019141 | Respiratory System Agents |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 11.48 | acidic |
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| ID | Source |
|---|---|
| D02032 | KEGG_DRUG |
| 1514 | RXNORM |
| CHEBI:135815 | CHEBI |
| CHEMBL1697785 | ChEMBL_ID |
| C000612965 | MESH_SUPPLEMENTAL_RECORD_UI |
| C587113 | MESH_SUPPLEMENTAL_RECORD_UI |
| DB00443 | DRUGBANK_ID |
| 10006 | MMSL |
| 4270 | MMSL |
| d00628 | MMSL |
| C2698381 | UMLSCUI |
| C0005308 | UMLSCUI |
| 71470 | PUBCHEM_CID |
| 9782 | PUBCHEM_CID |
| 50FH5AG9RW | UNII |
| 1045 | INN_ID |
| 4018644 | VANDF |
| D001623 | MESH_DESCRIPTOR_UI |
| 002168 | NDDF |
| 116571008 | SNOMEDCT_US |
| 29896003 | SNOMEDCT_US |
| CHEBI:3077 | CHEBI |
| 50FH5AG9RW | INXIGHT DRUGS |
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