In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2005 | 27 | Yes |
325715-02-4; D02640; Indiplon (USAN/INN)
Acetamide, N-methyl-N-(3-(3-(2-thienylcarbonyl)pyrazolo(1,5-a)pyrimidin-7-yl)phenyl)-
N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
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) | 2.97 | 1.37 | -23.48 | 0 | 6 | 0 | 67 | 376.441 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
GBRA1-1-E | GABA Receptor Alpha-1 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 1 | 0.47 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
GBRA1_RAT | P62813 | GABA Receptor Alpha-1 Subunit, Rat | 0.45 | 0.48 | Binding ≤ 1μM |
GBRA1_RAT | P62813 | GABA Receptor Alpha-1 Subunit, Rat | 0.45 | 0.48 | Binding ≤ 10μM |
Description | Species |
---|---|
GABA A receptor activation | |
Ligand-gated ion channel transport |