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| Stem definition | Drug id | CAS RN |
|---|---|---|
| tricyclic compounds | 288 | 4945-47-5 |
| Dose | Unit | Route |
|---|---|---|
| 0.10 | g | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT1,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,JAK3,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,TEK,TGFBR1,TTK | 48 | |||
| kinase-selectivity-class | AKT3,AXL,CAMK2D,EPHB4,ERBB2,PDK4,SIK2,STK33,TEK | 9 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | D04AA15 | DERMATOLOGICALS ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC. ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC. Antihistamines for topical use |
| ATC | R06AX01 | RESPIRATORY SYSTEM ANTIHISTAMINES FOR SYSTEMIC USE ANTIHISTAMINES FOR SYSTEMIC USE Other antihistamines for systemic use |
| MeSH PA | D006633 | Histamine Antagonists |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018494 | Histamine Agents |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Urticaria | indication | 126485001 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.35 | Basic |
| pKa2 | 5.65 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | GPCR | ANTAGONIST | KEGG DRUG | KEGG DRUG |
| ID | Source |
|---|---|
| D07197 | KEGG_DRUG |
| 61732-85-2 | SECONDARY_CAS_RN |
| 61670-09-5 | SECONDARY_CAS_RN |
| 18753 | RXNORM |
| C0052946 | UMLSCUI |
| CHEBI:135165 | CHEBI |
| CHEMBL520400 | ChEMBL_ID |
| DB13489 | DRUGBANK_ID |
| C020867 | MESH_SUPPLEMENTAL_RECORD_UI |
| 72075 | PUBCHEM_CID |
| C029080 | MESH_SUPPLEMENTAL_RECORD_UI |
| 1285 | INN_ID |
| Y6BHZ28O92 | UNII |
| 003726 | NDDF |
| 006226 | NDDF |
None