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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 357 | 105-20-4 |
None
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 4.50 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,AXL,BRAF,CAMK2B,CAMK2D,CDK1,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EGFR,EIF2AK3,ERBB2,FLT3,GRK2,GRK3,HASPIN,IKBKB,IRAK1,IRAK4,ITK,JAK1,JAK3,MAP2K6,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK12,MAPK7,MAPKAPK2,MARK4,NTRK2,PDK2,PDK4,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1 | 50 | |||
| kinase-selectivity-class | AKT3,AXL,BRAF,CAMK2B,CAMK2D,CHEK1,EIF2AK3,MAP4K1,MARK4,MELK,PAK4,PRKCD,SIK2,STK33,SYK,ULK2 | 16 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA | LILLY |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | V04CG02 | VARIOUS DIAGNOSTIC AGENTS OTHER DIAGNOSTIC AGENTS Tests for gastric secretion |
| MeSH PA | D005765 | Gastrointestinal Agents |
| MeSH PA | D017442 | Histamine Agonists |
| MeSH PA | D018377 | Neurotransmitter Agents |
| CHEBI has role | CHEBI:33295 | diagnostic agent |
| CHEBI has role | CHEBI:35678 | histamine agonist |
| CHEBI has role | CHEBI:55324 | gastrointestinal drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Stimulated gastric secretory test | indication | 252660000 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.7 | Basic |
| pKa2 | 1.84 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | GPCR | AGONIST | WOMBAT-PK | CHEMBL |
| ID | Source |
|---|---|
| 1C065P542O | UNII |
| D01187 | KEGG_DRUG |
| 138-92-1 | SECONDARY_CAS_RN |
| C0005321 | UMLSCUI |
| CHEBI:59170 | CHEBI |
| CHEMBL1201323 | ChEMBL_ID |
| 7741 | PUBCHEM_CID |
| DB00272 | DRUGBANK_ID |
| CHEMBL1200949 | ChEMBL_ID |
| D001625 | MESH_DESCRIPTOR_UI |
| 574 | INN_ID |
| 7126 | IUPHAR_LIGAND_ID |
| 4027250 | VANDF |
| 003367 | NDDF |
| 004786 | NDDF |
| 2125008 | SNOMEDCT_US |
| 260241009 | SNOMEDCT_US |
| 1C065P542O | INXIGHT DRUGS |
None