In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2005 | 25 | No |
Popular Name: AQ-110 AQ-110
Find On: PubMed — Wikipedia — Google
CAS Numbers: 18559-59-6 , 30418-38-3
18559-59-6; D01978; Inolin (TN); Tretoquinol; Trimetoquinol hydrochloride
30418-38-3; D08629; Tretoquinol (INN)
Caluyon (TN); D05037; Tretoquinol hydrate; Trimetoquinol hydrochloride hydrate (JP16)
None
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) | 2.12 | -2.75 | -54.23 | 4 | 6 | 1 | 84 | 346.403 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0190449A1; EP0245960A2; EP0245960B1; EP0481671A1; EP0525973A2; EP0525973A3; EP0595557A1; EP0666846A1; EP0737066A1; EP0757558A1; EP0911039A2; EP0934341A1; EP0937460A2; EP1021204A2; US4016100; US4678853; US4778673; US4851537; US5229381; US5348953; US54460 | IBM Patent Data |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ADA1A-3-E | Alpha-1a Adrenergic Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 10000 | 0.28 | Binding ≤ 10μM |
ADA1B-1-E | Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 10000 | 0.28 | Binding ≤ 10μM |
ADA1D-1-E | Alpha-1d Adrenergic Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 10000 | 0.28 | Binding ≤ 10μM |
ADA2A-3-E | Alpha-2a Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 10000 | 0.28 | Binding ≤ 10μM |
ADA2B-1-E | Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 10000 | 0.28 | Binding ≤ 10μM |
ADA2C-3-E | Alpha-2c Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 10000 | 0.28 | Binding ≤ 10μM |
ADRB1-1-E | Beta-1 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 100 | 0.39 | Binding ≤ 10μM |
ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 100 | 0.39 | Binding ≤ 10μM |
ADRB3-1-E | Beta-3 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 100 | 0.39 | Binding ≤ 10μM |
DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 5000 | 0.30 | Binding ≤ 10μM |
DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5000 | 0.30 | Binding ≤ 10μM |
DRD4-2-E | Dopamine D4 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 5000 | 0.30 | Binding ≤ 10μM |
DRD5-1-E | Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5000 | 0.30 | Binding ≤ 10μM |
ADRB1-1-E | Beta-1 Adrenergic Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.46 | Functional ≤ 10μM |
ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6 | 0.46 | Functional ≤ 10μM |
ADRB3-1-E | Beta-3 Adrenergic Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.49 | Functional ≤ 10μM |
DRD2-2-E | Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic | Eukaryotes | 5000 | 0.30 | Binding ≤ 10μM |
Z50587-4-O | Homo Sapiens (cluster #4 Of 9), Other | Other | 710 | 0.34 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ADRB1_HUMAN | P08588 | Beta-1 Adrenergic Receptor, Human | 31 | 0.42 | Binding ≤ 1μM |
ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 100 | 0.39 | Binding ≤ 1μM |
ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 31 | 0.42 | Binding ≤ 1μM |
ADRB2_CANFA | P54833 | Beta-2 Adrenergic Receptor, Canine | 100 | 0.39 | Binding ≤ 1μM |
ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 100 | 0.39 | Binding ≤ 1μM |
ADRB3_HUMAN | P13945 | Beta-3 Adrenergic Receptor, Human | 31 | 0.42 | Binding ≤ 1μM |
ADA1A_RAT | P43140 | Alpha-1a Adrenergic Receptor, Rat | 10000 | 0.28 | Binding ≤ 10μM |
ADA1B_RAT | P15823 | Alpha-1b Adrenergic Receptor, Rat | 10000 | 0.28 | Binding ≤ 10μM |
ADA1D_RAT | P23944 | Alpha-1d Adrenergic Receptor, Rat | 10000 | 0.28 | Binding ≤ 10μM |
ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 10000 | 0.28 | Binding ≤ 10μM |
ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 10000 | 0.28 | Binding ≤ 10μM |
ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 10000 | 0.28 | Binding ≤ 10μM |
ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 100 | 0.39 | Binding ≤ 10μM |
ADRB1_HUMAN | P08588 | Beta-1 Adrenergic Receptor, Human | 31 | 0.42 | Binding ≤ 10μM |
ADRB2_CANFA | P54833 | Beta-2 Adrenergic Receptor, Canine | 100 | 0.39 | Binding ≤ 10μM |
ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 31 | 0.42 | Binding ≤ 10μM |
ADRB3_HUMAN | P13945 | Beta-3 Adrenergic Receptor, Human | 31 | 0.42 | Binding ≤ 10μM |
ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 100 | 0.39 | Binding ≤ 10μM |
DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 5000 | 0.30 | Binding ≤ 10μM |
DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 5000 | 0.30 | Binding ≤ 10μM |
DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 5000 | 0.30 | Binding ≤ 10μM |
DRD4_RAT | P30729 | Dopamine D4 Receptor, Rat | 5000 | 0.30 | Binding ≤ 10μM |
DRD5_RAT | P25115 | Dopamine D5 Receptor, Rat | 5000 | 0.30 | Binding ≤ 10μM |
ADRB1_HUMAN | P08588 | Beta-1 Adrenergic Receptor, Human | 14 | 0.44 | Functional ≤ 10μM |
ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 3.5 | 0.47 | Functional ≤ 10μM |
ADRB3_HUMAN | P13945 | Beta-3 Adrenergic Receptor, Human | 1.7 | 0.49 | Functional ≤ 10μM |
Z50587 | Z50587 | Homo Sapiens | 550 | 0.35 | Functional ≤ 10μM |
Description | Species |
---|---|
Adrenaline signalling through Alpha-2 adrenergic receptor | |
Adrenaline,noradrenaline inhibits insulin secretion | |
Adrenoceptors | |
Dopamine receptors | |
G alpha (12/13) signalling events | |
G alpha (i) signalling events | |
G alpha (q) signalling events | |
G alpha (s) signalling events | |
G alpha (z) signalling events |