| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 22 | Yes |
Popular Name: 4-chloro-1,3-dimethyl-N-(2-pyridylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide 4-chloro-1,3-dimethyl-N-(2-pyrid…
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) | 1.02 | 4.87 | -11.28 | 1 | 6 | 0 | 73 | 315.764 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.02 | 5.27 | -43.49 | 2 | 6 | 1 | 74 | 316.772 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GCR-1-E | Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6310 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GCR_HUMAN | P04150 | Glucocorticoid Receptor, Human | 6309.57344 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| BMAL1:CLOCK,NPAS2 activates circadian gene expression |
