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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2080 | 26864-56-2 |
| Dose | Unit | Route |
|---|---|---|
| 6 | mg | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AKT1,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK3,MAP3K7,MAPK10,MAPK7,MET,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,TEK,TGFBR1 | 36 | |||
| kinase-selectivity-class | AKT3,AXL,EIF2AK3,EPHB4,PDK4 | 5 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 1 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | N05AG03 | NERVOUS SYSTEM PSYCHOLEPTICS ANTIPSYCHOTICS Diphenylbutylpiperidine derivatives |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D011619 | Psychotropic Drugs |
| MeSH PA | D014150 | Antipsychotic Agents |
| MeSH PA | D015259 | Dopamine Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018492 | Dopamine Antagonists |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.65 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | GPCR | Ki | 6.06 | CHEMBL | |||||
| D(1A) dopamine receptor | GPCR | Ki | 6.83 | CHEMBL | |||||
| D(2) dopamine receptor | GPCR | Ki | 6.80 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1A | GPCR | Ki | 6.45 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 2A | GPCR | Ki | 6.44 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 2B | GPCR | Ki | 6.74 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 2C | GPCR | Ki | 5.68 | PDSP | |||||
| 5-hydroxytryptamine receptor 6 | GPCR | Ki | 6 | CHEMBL | |||||
| Alpha-2B adrenergic receptor | GPCR | Ki | 6.40 | CHEMBL | |||||
| D(3) dopamine receptor | GPCR | Ki | 6.87 | CHEMBL | |||||
| D(1B) dopamine receptor | GPCR | Ki | 6.90 | CHEMBL | |||||
| Histamine H1 receptor | GPCR | Ki | 6 | CHEMBL | |||||
| Histamine H2 receptor | GPCR | Ki | 6 | CHEMBL | |||||
| Beta-3 adrenergic receptor | GPCR | Ki | 6.29 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1D | GPCR | Ki | 5.45 | CHEMBL | |||||
| Alpha-2C adrenergic receptor | GPCR | Ki | 6.35 | CHEMBL | |||||
| D(4) dopamine receptor | GPCR | Ki | 6 | CHEMBL | |||||
| Alpha-1D adrenergic receptor | GPCR | Ki | 6.22 | CHEMBL | |||||
| Kappa-type opioid receptor | GPCR | Ki | 6 | CHEMBL | |||||
| Delta-type opioid receptor | GPCR | Ki | 5.77 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 5A | GPCR | Ki | 6 | CHEMBL | |||||
| Dopamine receptor | GPCR | IC50 | 7.21 | CHEMBL |
| ID | Source |
|---|---|
| N0000167198 | NUI |
| D02630 | KEGG_DRUG |
| C0030815 | UMLSCUI |
| CHEBI:92278 | CHEBI |
| CHEMBL47050 | ChEMBL_ID |
| D010395 | MESH_DESCRIPTOR_UI |
| DB13791 | DRUGBANK_ID |
| 2919 | INN_ID |
| 25TLU22Q8H | UNII |
| 33630 | PUBCHEM_CID |
| 7974 | RXNORM |
| 005285 | NDDF |
| 710292006 | SNOMEDCT_US |
| A1L60 | PDB_CHEM_ID |
None