Stem definition | Drug id | CAS RN |
---|---|---|
calcium metabolism regulator, pharmaceutical aid | 690 | 10596-23-3 |
Dose | Unit | Route |
---|---|---|
1.60 | g | O |
1.50 | g | P |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 4 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 0.40 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 80 % | Benet LZ, Broccatelli F, Oprea TI |
BA (Bioavailability) | 1 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 0.88 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 1.60 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.64 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 43.20 hours | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 1, 1986 | YEAR INTRODUCED |
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 | 83.23 | 42.19 | 22 | 241 | 34380 | 46651419 |
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 |
---|
Source | Code | Description |
---|---|---|
ATC | M05BA02 | MUSCULO-SKELETAL SYSTEM DRUGS FOR TREATMENT OF BONE DISEASES DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION Bisphosphonates |
MeSH PA | D050071 | Bone Density Conservation Agents |
CHEBI has role | CHEBI:35610 | cytostatic |
CHEBI has role | CHEBI:50646 | anti-osteoporotics |
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 0.13 | acidic |
pKa2 | 4.2 | acidic |
pKa3 | 5.18 | acidic |
pKa4 | 9.25 | acidic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein phosphatase non-receptor type 1 | Enzyme | WOMBAT-PK | |||||||
ADP/ATP translocase 3 | Enzyme | WOMBAT-PK | |||||||
ADP/ATP translocase 1 | Transporter | WOMBAT-PK | |||||||
ADP/ATP translocase 2 | Enzyme | WOMBAT-PK |
ID | Source |
---|---|
N0000166424 | NUI |
D03545 | KEGG_DRUG |
C0162357 | UMLSCUI |
CHEBI:59585 | CHEBI |
CHEMBL12318 | ChEMBL_ID |
DB00720 | DRUGBANK_ID |
D004002 | MESH_DESCRIPTOR_UI |
25419 | PUBCHEM_CID |
9605 | IUPHAR_LIGAND_ID |
4147 | INN_ID |
0813BZ6866 | UNII |
3350 | RXNORM |
003710 | NDDF |
387579006 | SNOMEDCT_US |
418080006 | SNOMEDCT_US |
768528000 | SNOMEDCT_US |
None