| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 22 | No |
Popular Name: (9R)-9-(4-bromo-3-fluoro-phenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one (9R)-9-(4-bromo-3-fluoro-phenyl)…
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) | 3.36 | 8.86 | -13.86 | 1 | 4 | 0 | 47 | 362.202 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.53 | 9.27 | -40.03 | 2 | 4 | 1 | 52 | 363.21 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABCC8-1-E | Sulfonylurea Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 30 | 0.48 | Functional ≤ 10μM |
| ABCC9-1-E | Sulfonylurea Receptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 30 | 0.48 | Functional ≤ 10μM |
| IRK11-1-E | Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 30 | 0.48 | Functional ≤ 10μM |
| IRK8-1-E | Potassium Channel, Inwardly Rectifying, Subfamily J, Member 8 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 30 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IRK11_HUMAN | Q14654 | Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11, Human | 30 | 0.48 | Functional ≤ 10μM |
| IRK8_HUMAN | Q15842 | Potassium Channel, Inwardly Rectifying, Subfamily J, Member 8, Human | 30 | 0.48 | Functional ≤ 10μM |
| ABCC8_HUMAN | Q09428 | Sulfonylurea Receptor 1, Human | 30 | 0.48 | Functional ≤ 10μM |
| ABCC9_HUMAN | O60706 | Sulfonylurea Receptor 2, Human | 30 | 0.48 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ABC-family proteins mediated transport | |
| ATP sensitive Potassium channels | |
| Regulation of insulin secretion |
