| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2008 | 25 | Yes |
Popular Name: 3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE 3,6-DIAMINO-5-CYANO-4-(4-ETHOXYP…
| 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) | 2.14 | 1.93 | -11.14 | 6 | 7 | 0 | 141 | 353.407 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.53e-02 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HS90B-2-E | Heat Shock Protein HSP 90-beta (cluster #2 Of 2), Eukaryotic | Eukaryotes | 900 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HS90B_HUMAN | P08238 | Heat Shock Protein HSP 90-beta, Human | 900 | 0.34 | Binding ≤ 1μM |
| HS90B_HUMAN | P08238 | Heat Shock Protein HSP 90-beta, Human | 900 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Attenuation phase | |
| HSF1 activation | |
| HSF1-dependent transactivation | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Sema3A PAK dependent Axon repulsion | |
| The NLRP3 inflammasome |
