| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 22 | Yes |
Popular Name: Alprazolam Alprazolam
Find On: PubMed — Wikipedia — Google
CAS Numbers: 28981-97-7 , 51339-48-1 , [28981-97-7]
28981-97-7; Alprazolam (JP16/USP/INN); D00225; Xanax (TN)
28981-97-7; Alprazolam; C06817
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-
4H-(1,2,4)Triazolo(4,3-alpha)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-
4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-
8-Chloro-1-methyl-6-(phenyl-d5)-4H-(1,2,4)triazolo[4,3-a][1,4]benzodiazepine
8-Chloro-1-methyl-6-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulene
8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine
8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine; Alprazolam; Xanax
8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-alpha)(1,4)benzodiazepine
8-Chloro-1-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine
8-Chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Alphapharm Brand of Alprazolam
Alprazolam extended release tablets
Alprazolam; CPD000149316; SAM001246696
Arzneimittelwerk Dresden Brand of Alprazolam
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.29 | 9.04 | -11.97 | 0 | 4 | 0 | 43 | 308.772 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 9.87 | -34.58 | 1 | 4 | 1 | 45 | 309.78 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.24e-02 g/l | DrugBank-Street Drugs |
| mechanism | Benzodiazepine receptor agonist | IBScreen Bioactives |
| Patent Database Links | EP0769300; EP1078637; EP1438962; EP1629835; EP1731142; EP1839657; EP1867641; EP1970055; EP1985287; EP1990639; US2004142904; US2005009870; US2005014786; US2005069596; US2005080087; US2006135511; US2006148790; US2007185018; US2007189977; US2007190160; US200 | ChEBI |
| biological_use | Muscle relaxant | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP04905a; NCC_CONTROLLED_SUBSTANCE : DEA SCHEDULE 4 | NIH Clinical Collection via PubChem |
| biological_use | Psychosedative | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP04905a | NIH Clinical Collection via PubChem |
| therap | sedative, hypnotic | MicroSource Pharmakon |
| biological_use | Tranquilliser | IBScreen Bioactives IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBRA1-1-E | GABA Receptor Alpha-1 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 37 | 0.47 | Binding ≤ 10μM |
| GBRA2-1-E | GABA Receptor Alpha-2 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 12 | 0.50 | Binding ≤ 10μM |
| GBRA3-1-E | GABA Receptor Alpha-3 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 69 | 0.46 | Binding ≤ 10μM |
| GBRA5-6-E | GABA Receptor Alpha-5 Subunit (cluster #6 Of 8), Eukaryotic | Eukaryotes | 10 | 0.51 | Binding ≤ 10μM |
| Z104301-1-O | GABA-A Receptor; Anion Channel (cluster #1 Of 2), Other | Other | 3 | 0.54 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBRA1_HUMAN | P14867 | GABA Receptor Alpha-1 Subunit, Human | 37 | 0.47 | Binding ≤ 1μM |
| GBRA2_HUMAN | P47869 | GABA Receptor Alpha-2 Subunit, Human | 12 | 0.50 | Binding ≤ 1μM |
| GBRA3_HUMAN | P34903 | GABA Receptor Alpha-3 Subunit, Human | 69 | 0.46 | Binding ≤ 1μM |
| GBRA5_HUMAN | P31644 | GABA Receptor Alpha-5 Subunit, Human | 10 | 0.51 | Binding ≤ 1μM |
| GBRA1_HUMAN | P14867 | GABA Receptor Alpha-1 Subunit, Human | 37 | 0.47 | Binding ≤ 10μM |
| GBRA2_HUMAN | P47869 | GABA Receptor Alpha-2 Subunit, Human | 12 | 0.50 | Binding ≤ 10μM |
| GBRA3_HUMAN | P34903 | GABA Receptor Alpha-3 Subunit, Human | 69 | 0.46 | Binding ≤ 10μM |
| GBRA5_HUMAN | P31644 | GABA Receptor Alpha-5 Subunit, Human | 10 | 0.51 | Binding ≤ 10μM |
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 3.3 | 0.54 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| GABA A receptor activation | |
| Ligand-gated ion channel transport |
