In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 26 | Yes |
Popular Name: N-[9-chloro-2-(2-furyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]pentanamide N-[9-chloro-2-(2-furyl)-[1,2,4]t…
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) | 4.52 | 11.8 | -13.22 | 1 | 7 | 0 | 85 | 369.812 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 29 | 0.41 | Binding ≤ 10μM |
AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 49 | 0.39 | Binding ≤ 10μM |
AA3R-1-E | Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 22 | 0.41 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 28.9 | 0.41 | Binding ≤ 1μM |
AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 48.8 | 0.39 | Binding ≤ 1μM |
AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 21.5 | 0.41 | Binding ≤ 1μM |
AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 28.9 | 0.41 | Binding ≤ 10μM |
AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 48.8 | 0.39 | Binding ≤ 10μM |
AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 21.5 | 0.41 | Binding ≤ 10μM |
Description | Species |
---|---|
Adenosine P1 receptors | |
G alpha (i) signalling events | |
G alpha (s) signalling events | |
NGF-independant TRKA activation |
No pre-computed analogs available. Try a structural similarity search.