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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 65 | 51-84-3 |
None
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 100 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 58 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CAMK2D,CDK4,CDK9,DDR1,EPHB4,FLT3,GRK2,MAP3K9,MAPK7,SIK2,STK33,TEK,TTK | 16 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Oct. 9, 1973 | FDA |
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| Source | Code | Description |
|---|---|---|
| ATC | S01EB09 | SENSORY ORGANS OPHTHALMOLOGICALS ANTIGLAUCOMA PREPARATIONS AND MIOTICS Parasympathomimetics |
| FDA MoA | N0000175369 | Cholinergic Agonists |
| CHEBI has role | CHEBI:66981 | ophthalmology drug |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D014665 | Vasodilator Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018678 | Cholinergic Agents |
| MeSH PA | D018679 | Cholinergic Agonists |
| FDA EPC | N0000175884 | Cholinergic Receptor Agonist |
| CHEBI has role | CHEBI:24621 | hormone |
| CHEBI has role | CHEBI:25512 | neurotransmitter |
| CHEBI has role | CHEBI:35526 | hypoglycemic agent |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35620 | vasodilator agent |
| CHEBI has role | CHEBI:38325 | muscarinic agonist |
| CHEBI has role | CHEBI:39456 | antiglaucoma drug |
| CHEBI has role | CHEBI:64946 | anti-HIV agent |
| CHEBI has role | CHEBI:67079 | anti-inflammatory agent |
| CHEBI has role | CHEBI:75771 | mouse metabolite |
| CHEBI has role | CHEBI:75835 | anti-anaemic agent |
| CHEBI has role | CHEBI:77746 | human metabolite |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Glaucoma | indication | 23986001 | DOID:1686 |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | GPCR | AGONIST | EC50 | 6.66 | CHEMBL | CHEMBL | |||
| Muscarinic acetylcholine receptor M2 | GPCR | AGONIST | Ki | 6.50 | IUPHAR | ||||
| Muscarinic acetylcholine receptor M4 | GPCR | AGONIST | Ki | 5.60 | IUPHAR | ||||
| Muscarinic acetylcholine receptor M5 | GPCR | EC50 | 6.10 | CHEMBL | |||||
| Neuronal acetylcholine receptor subunit alpha-7 | Ion channel | Ki | 5.10 | CHEMBL | |||||
| Neuronal acetylcholine receptor; alpha4/beta2 | Ion channel | EC50 | 5.80 | CHEMBL | |||||
| Muscarinic acetylcholine receptor M1 | GPCR | EC50 | 6.11 | CHEMBL | |||||
| Acetylcholine-binding protein | Secreted | Ki | 5.50 | CHEMBL | |||||
| Acetylcholine receptor subunit delta | Ion channel | Ki | 7.37 | CHEMBL | |||||
| Neuronal acetylcholine receptor subunit alpha-7 | Ion channel | Ki | 5.45 | CHEMBL | |||||
| Neuronal acetylcholine receptor; alpha2/beta2 | Ion channel | Ki | 7.96 | CHEMBL | |||||
| Neuronal acetylcholine receptor; alpha3/beta2 | Ion channel | Ki | 7.39 | CHEMBL | |||||
| Neuronal acetylcholine receptor; alpha3/beta4 | Ion channel | Ki | 6.21 | CHEMBL | |||||
| Neuronal acetylcholine receptor; alpha4/beta2 | Ion channel | Ki | 8.12 | CHEMBL | |||||
| Neuronal acetylcholine receptor; alpha4/beta4 | Ion channel | Ki | 7.24 | CHEMBL | |||||
| Muscarinic acetylcholine receptor | GPCR | IC50 | 7.92 | CHEMBL | |||||
| Nicotinic acetylcholine receptor alpha8 subunit | Ion channel | EC50 | 4.94 | CHEMBL |
| ID | Source |
|---|---|
| 4019594 | VUID |
| N0000147690 | NUI |
| D00999 | KEGG_DRUG |
| 194 | RXNORM |
| C0001041 | UMLSCUI |
| CHEBI:15355 | CHEBI |
| ACH | PDB_CHEM_ID |
| CHEMBL667 | ChEMBL_ID |
| DB03128 | DRUGBANK_ID |
| CHEMBL1184 | ChEMBL_ID |
| D000109 | MESH_DESCRIPTOR_UI |
| 187 | PUBCHEM_CID |
| 294 | IUPHAR_LIGAND_ID |
| 60-31-1 | SECONDARY_CAS_RN |
| N9YNS0M02X | UNII |
| 4126 | MMSL |
| 72383 | MMSL |
| 438 | INN_ID |
| 4019546 | VANDF |
| 4019594 | VANDF |
| 001697 | NDDF |
| 004684 | NDDF |
| 13525006 | SNOMEDCT_US |
| 387496009 | SNOMEDCT_US |
| 57308006 | SNOMEDCT_US |
| N9YNS0M02X | INXIGHT DRUGS |
None