In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 15 | Yes |
Popular Name: 9-Dihydroxypropyladenine 9-Dihydroxypropyladenine
Find On: PubMed — Wikipedia — Google
CAS Number: 716-17-6
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) | -0.97 | -1.27 | -15 | 4 | 7 | 0 | 110 | 209.209 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.97 | -5.39 | -36.69 | 5 | 7 | 1 | 111 | 210.217 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.97 | -0.9 | -38.73 | 5 | 7 | 1 | 111 | 210.217 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
biological_use | Antiviral agent | ZereneX Building Blocks |
mp | 202 - 203 | MolMall (formerly Molecular Diversity Preservation International) |
biological_use | Antiviral agent | IBScreen Bioactives |
mechanism | S-Adenosyl-L-homocysteine | ZereneX Building Blocks |
mechanism | S-Adenosyl-L-homocysteine hydrolase inhibitor | IBScreen Bioactives |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 8500 | 0.47 | Binding ≤ 10μM |
SAHH-1-E | Adenosylhomocysteinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 280 | 0.61 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
SAHH_HUMAN | P23526 | Adenosylhomocysteinase, Human | 280 | 0.61 | Binding ≤ 1μM |
AA2AR_HUMAN | P29274 | Adenosine A2a Receptor, Human | 8500 | 0.47 | Binding ≤ 10μM |
SAHH_HUMAN | P23526 | Adenosylhomocysteinase, Human | 280 | 0.61 | Binding ≤ 10μM |
Description | Species |
---|---|
Adenosine P1 receptors | |
G alpha (s) signalling events | |
Methylation | |
NGF-independant TRKA activation | |
Sulfur amino acid metabolism |