| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 1st, 2009 | 31 | Yes |
Popular Name: 3-(4-isopropylphenyl)-7-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide 3-(4-isopropylphenyl)-7-methyl-N…
| 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) | 4.89 | 11.11 | -12.59 | 1 | 6 | 0 | 69 | 414.509 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HCAR2-1-E | HM74 Nicotinic Acid GPCR (cluster #1 Of 4), Eukaryotic | Eukaryotes | 6000 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HCAR2_HUMAN | Q8TDS4 | Nicotinic Acid Receptor 1, Human | 1000 | 0.27 | Binding ≤ 1μM |
| HCAR2_HUMAN | Q8TDS4 | Nicotinic Acid Receptor 1, Human | 1000 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events | |
| Hydroxycarboxylic acid-binding receptors |
