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| Stem definition | Drug id | CAS RN |
|---|---|---|
| NO2 - derivatives | 2591 | 21946-79-2 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FGFR1,FLT3,GRK2,GSK3B,IGF1R,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK1,MAPK10,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ZAP70 | 65 | |||
| kinase-selectivity-class | AXL,BRAF,CAMK2D,CDK1,CDK16,CDK4,CDK9,DDR1,DYRK1B,EPHB4,ERBB2,GRK2,GSK3B,IRAK1,IRAK3,MAP2K6,MAP3K21,MAPK1,MAPK7,MARK4,MTOR,PIK3CD,PRKDC,SIK2,STK33,SYK,TEK,TTK,UHMK1 | 29 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | C01DA38 | CARDIOVASCULAR SYSTEM CARDIAC THERAPY VASODILATORS USED IN CARDIAC DISEASES Organic nitrates |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Angina pectoris | indication | 194828000 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.25 | Basic |
| pKa2 | 1.0 | Basic |
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| ID | Source |
|---|---|
| C0603972 | UMLSCUI |
| CHEBI:81292 | CHEBI |
| CHEMBL3707257 | ChEMBL_ID |
| DB13637 | DRUGBANK_ID |
| C009395 | MESH_SUPPLEMENTAL_RECORD_UI |
| 168009 | PUBCHEM_CID |
| CKB16BAQ3S | UNII |
| CKB16BAQ3S | INXIGHT DRUGS |
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