In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 10th, 2008 | 11 | Yes |
Popular Name: 2,3,4,5-Tetrahydro-1,4-benzoxazepine hydrochloride 2,3,4,5-Tetrahydro-1,4-benzoxaze…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 17775-01-8 , 21767-41-9
1,4-benzoxazepine, 2,3,4,5-tetrahydro-
1,4-benzoxazepine, 2,3,4,5-tetrahydro-, hydrochloride
2,3,4,5-tetrahydro-1,4-benzoxazepine
2,3,4,5-tetrahydro-1,4-benzoxazepinehydrochloride
2,3,4,5-Tetrahydro-benzo[f][1,4]oxazepine
2,3,4,5-Tetrahydrobenzo[f][1,4]oxazepine
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) | 1.37 | 3.34 | -40.22 | 2 | 2 | 1 | 26 | 150.201 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 188 - 190 | Enamine Building Blocks |
MP | 188...190 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Fluorochem |
Warnings | IRRITANT | Matrix Scientific |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ADA2A-3-E | Alpha-2a Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 4100 | 0.69 | Binding ≤ 10μM |
ADA2B-3-E | Alpha-2b Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 4100 | 0.69 | Binding ≤ 10μM |
ADA2C-3-E | Alpha-2c Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 4100 | 0.69 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 4100 | 0.69 | Binding ≤ 10μM |
ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 4100 | 0.69 | Binding ≤ 10μM |
ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 4100 | 0.69 | Binding ≤ 10μM |
Description | Species |
---|---|
Adrenaline signalling through Alpha-2 adrenergic receptor | |
Adrenaline,noradrenaline inhibits insulin secretion | |
Adrenoceptors | |
G alpha (i) signalling events | |
G alpha (z) signalling events |