| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 26 | Yes |
Popular Name: 4-chloro-3-ethyl-N-(indan-2-ylmethyl)-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxamide 4-chloro-3-ethyl-N-(indan-2-ylme…
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) | 3.54 | 9.28 | -11.42 | 1 | 5 | 0 | 60 | 368.868 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GCR-1-E | Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 251 | 0.36 | Functional ≤ 10μM |
| MCR-1-E | Mineralocorticoid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.27 | Functional ≤ 10μM |
| PRGR-1-E | Progesterone Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GCR_HUMAN | P04150 | Glucocorticoid Receptor, Human | 251.188643 | 0.36 | Functional ≤ 10μM |
| MCR_HUMAN | P08235 | Mineralocorticoid Receptor, Human | 10000 | 0.27 | Functional ≤ 10μM |
| PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 10000 | 0.27 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| BMAL1:CLOCK,NPAS2 activates circadian gene expression | |
| Nuclear Receptor transcription pathway | |
| Nuclear signaling by ERBB4 |
