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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3274 | 14459-29-1 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,ALK,AURKA,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK2,CDK5,CDK9,CLK4,DDR1,DYRK1B,DYRK3,EGFR,EIF2AK3,ERBB2,FLT3,GRK2,GSK3B,IRAK1,ITK,JAK1,JAK2,KDR,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK10,MAPK7,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK1,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PIM3,PRKDC,SIK2,SIK3,STK17A,STK33,SYK,TEK,TGFBR1,TTK,UHMK1,ULK1 | 64 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CAMK2D,CDK16,CLK2,CLK4,EIF2AK3,GRK2,IRAK3,KDR,MAP2K6,MAP3K14,MAP3K7,PDK1,SIK2,STK33,SYK,TEK,ZAP70 | 20 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D003879 | Dermatologic Agents |
| MeSH PA | D011838 | Radiation-Sensitizing Agents |
| MeSH PA | D017319 | Photosensitizing Agents |
| CHEBI has role | CHEBI:47868 | photosensitizing agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Non-small cell lung cancer | indication | 254637007 | DOID:3908 |
| Malignant tumor of esophagus | indication | 363402007 | |
| High Grade Dysplasia associated with Barrett's Esophagus | indication | ||
| Endoscopic Photodynamic Ablation Adjunct for Cancer or High Grade Dysplasia | indication | ||
| Esophageal varices | contraindication | 28670008 | |
| Ulcer of esophagus | contraindication | 30811009 | |
| Stricture of esophagus | contraindication | 63305008 | |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Tracheoesophageal fistula | contraindication | 95435007 | |
| Bronchoesophageal fistula | contraindication | 235641005 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Thromboembolic disorder | contraindication | 371039008 | |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Porphyria | contraindication | 418470004 | |
| Tracheal Erosion due to Malignant Esophagus Neoplasm | contraindication | ||
| Bronchial Erosion due to Malignant Esophagus Neoplasm | contraindication | ||
| Arterial Erosion by Tumor Growth | contraindication |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.14 | acidic |
| pKa2 | 3.76 | acidic |
| pKa3 | 11.63 | acidic |
| pKa4 | 13.06 | acidic |
| pKa5 | 13.28 | acidic |
| pKa6 | 14.0 | acidic |
| pKa7 | 5.16 | Basic |
| pKa8 | 4.25 | Basic |
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| ID | Source |
|---|---|
| C0018959 | UMLSCUI |
| CHEBI:36162 | CHEBI |
| CHEMBL403729 | ChEMBL_ID |
| D006415 | MESH_DESCRIPTOR_UI |
| DB16183 | DRUGBANK_ID |
| HBT6M5H379 | UNII |
| 11103 | PUBCHEM_CID |
| 5164 | RXNORM |
| 005425 | NDDF |
| 51462002 | SNOMEDCT_US |
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