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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2135 | 77-09-8 |
| Dose | Unit | Route |
|---|---|---|
| 0.20 | g | O |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 10 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAP3K7,MAPK10,MAPK7,MAPKAPK2,PDK1,PDK2,PDK4,PIK3CB,PIK3CG,PRKDC,TEK,TGFBR1 | 26 | |||
| kinase-selectivity-class | ACVR2B,GRK2,MAP2K6 | 3 | |||
| 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 |
|---|---|---|---|---|---|---|
| Sedation complication | 224.36 | 208.69 | 51 | 1213 | 16893 | 90610290 |
| Creatinine renal clearance decreased | 218.82 | 208.69 | 51 | 1213 | 18848 | 90608335 |
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 |
|---|---|---|---|---|---|---|
| Sedation complication | 225.53 | 199.08 | 51 | 1235 | 19804 | 110568209 |
| Creatinine renal clearance decreased | 220.75 | 199.08 | 51 | 1235 | 21764 | 110566249 |
None
| Source | Code | Description |
|---|---|---|
| ATC | A06AB04 | ALIMENTARY TRACT AND METABOLISM DRUGS FOR CONSTIPATION DRUGS FOR CONSTIPATION Contact laxatives |
| MeSH PA | D007202 | Indicators and Reagents |
| CHEBI has role | CHEBI:50503 | laxative |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Constipation | off-label use | 14760008 | DOID:2089 |
| Incomplete passage of stool | off-label use | 249515001 | |
| Incontinence of feces | contraindication | 72042002 | |
| Appendicitis | contraindication | 74400008 | DOID:8337 |
| Gastrointestinal obstruction | contraindication | 126765001 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.45 | acidic |
| pKa2 | 10.06 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Estrogen receptor | Nuclear hormone receptor | IC50 | 5.43 | CHEMBL | |||||
| Thymidylate synthase | Enzyme | Ki | 5.92 | CHEMBL | |||||
| Estrogen receptor beta | Nuclear hormone receptor | IC50 | 4.85 | CHEMBL | |||||
| Thymidylate synthase | Enzyme | Ki | 5.33 | CHEMBL | |||||
| Thymidylate synthase | Enzyme | Ki | 5.33 | CHEMBL | |||||
| Thymidylate synthase | Enzyme | Ki | 5.85 | CHEMBL |
| ID | Source |
|---|---|
| 4020931 | VUID |
| N0000148413 | NUI |
| D05456 | KEGG_DRUG |
| 4018930 | VANDF |
| 4020338 | VANDF |
| 4020931 | VANDF |
| C0600489 | UMLSCUI |
| CHEBI:34914 | CHEBI |
| FGT | PDB_CHEM_ID |
| CHEMBL63857 | ChEMBL_ID |
| DB04824 | DRUGBANK_ID |
| D020113 | MESH_DESCRIPTOR_UI |
| 4764 | PUBCHEM_CID |
| 4575 | INN_ID |
| 6QK969R2IF | UNII |
| 155122 | RXNORM |
| 5275 | MMSL |
| 71908 | MMSL |
| d01012 | MMSL |
| 001174 | NDDF |
| 19595005 | SNOMEDCT_US |
| 398955002 | SNOMEDCT_US |
None