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| Stem definition | Drug id | CAS RN |
|---|---|---|
| calcium metabolism regulator, pharmaceutical aid | 4074 | 180064-38-4 |
None
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 0.01 % | Kawashima H, Watanabe R, Esaki T, Kuroda M, Nagao C, Natsume-Kitatani Y, Ohashi R, Komura H, Mizuguchi K |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,JAK3,MAP2K6,MAP3K14,MAP3K2,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK7,MAPK9,MTOR,NTRK1,NTRK2,PDK1,PDK2,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,ULK1 | 50 | |||
| kinase-selectivity-class | AURKA,AXL,BRAF,CDK4,CDK9,DDR1,DYRK1B,EPHB4,ERBB2,GRK2,JAK2,MAP2K6,MAP3K14,MAP3K2,MAP3K21,MAPK7,PIK3CD,PIK3CG,PRKDC,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 25 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| July 11, 2011 | PMDA |
| 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 |
|---|---|---|---|---|---|---|
| Osteonecrosis of jaw | 88.24 | 35.43 | 29 | 1186 | 39074 | 90588158 |
| Atypical femur fracture | 78.39 | 35.43 | 18 | 1197 | 6403 | 90620829 |
| Hepatic function abnormal | 57.31 | 35.43 | 22 | 1193 | 46266 | 90580966 |
| Spinal compression fracture | 54.14 | 35.43 | 16 | 1199 | 15162 | 90612070 |
| Upper respiratory tract inflammation | 40.81 | 35.43 | 9 | 1206 | 2663 | 90624569 |
| Interstitial lung disease | 40.61 | 35.43 | 20 | 1195 | 76385 | 90550847 |
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 |
|---|---|---|---|---|---|---|
| Osteonecrosis of jaw | 92.54 | 30.85 | 33 | 1715 | 47984 | 110539567 |
| Atypical femur fracture | 70.78 | 30.85 | 17 | 1731 | 6202 | 110581349 |
| Hepatic function abnormal | 63.35 | 30.85 | 30 | 1718 | 89265 | 110498286 |
| Spinal compression fracture | 56.65 | 30.85 | 18 | 1730 | 18374 | 110569177 |
| Interstitial lung disease | 45.59 | 30.85 | 28 | 1720 | 139306 | 110448245 |
| Upper respiratory tract inflammation | 44.88 | 30.85 | 11 | 1737 | 4360 | 110583191 |
None
None
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Osteoporosis | indication | 64859006 | DOID:11476 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.11 | acidic |
| pKa2 | 6.18 | acidic |
| pKa3 | 7.16 | acidic |
| pKa4 | 10.96 | acidic |
| pKa5 | 11.56 | acidic |
| pKa6 | 5.65 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | Enzyme | IC50 | 8.52 | CHEMBL | |||||
| Geranylgeranyl pyrophosphate synthase | Enzyme | Ki | 5.74 | CHEMBL | |||||
| Farnesyl diphosphate synthase | Enzyme | IC50 | 5.96 | CHEMBL | |||||
| Geranylgeranyl pyrophosphate synthase | Enzyme | Ki | 6.89 | CHEMBL |
| ID | Source |
|---|---|
| D09198 | KEGG_DRUG |
| C2825721 | UMLSCUI |
| M0N | PDB_CHEM_ID |
| CHEMBL319144 | ChEMBL_ID |
| DB06548 | DRUGBANK_ID |
| 130956 | PUBCHEM_CID |
| 3164 | IUPHAR_LIGAND_ID |
| 7651 | INN_ID |
| 40SGR63TGL | UNII |
| CHEBI:43806 | CHEBI |
| C087958 | MESH_SUPPLEMENTAL_RECORD_UI |
| 40SGR63TGL | INXIGHT DRUGS |
None