| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2004 | 23 | Yes |
(5-(1-benzyl-1H-indazol-3-yl)furan-2-yl)methanol
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole; C19H16N2O2; LS-173463; YC 1; YC-1
| 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) | 3.68 | 7.48 | -12.63 | 1 | 4 | 0 | 51 | 304.349 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HIF1A-1-E | Hypoxia-inducible Factor 1-alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9210 | 0.31 | Binding ≤ 10μM |
| GCYA1-1-E | Guanylate Cyclase Soluble Alpha-1 Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4110 | 0.33 | Functional ≤ 10μM |
| GCYB1-1-E | Guanylate Cyclase Soluble Beta-1 Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4110 | 0.33 | Functional ≤ 10μM |
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 10000 | 0.30 | Functional ≤ 10μM |
| Z80025-1-O | ACHN (Renal Adenocarcinoma Cells) (cluster #1 Of 3), Other | Other | 300 | 0.40 | Functional ≤ 10μM |
| Z80026-1-O | AGS (Gastric Adenocarcinoma Cells) (cluster #1 Of 2), Other | Other | 2000 | 0.35 | Functional ≤ 10μM |
| Z81280-1-O | NCI-H226 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 3), Other | Other | 1900 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HIF1A_HUMAN | Q16665 | Hypoxia-inducible Factor 1 Alpha, Human | 2000 | 0.35 | Binding ≤ 10μM |
| Z80025 | Z80025 | ACHN (Renal Adenocarcinoma Cells) | 300 | 0.40 | Functional ≤ 10μM |
| Z80026 | Z80026 | AGS (Gastric Adenocarcinoma Cells) | 2000 | 0.35 | Functional ≤ 10μM |
| GCYA1_BOVIN | P19687 | Guanylate Cyclase Soluble Alpha-1 Chain, Bovin | 4110 | 0.33 | Functional ≤ 10μM |
| GCYB1_BOVIN | P16068 | Guanylate Cyclase Soluble Beta-1 Chain, Bovin | 4110 | 0.33 | Functional ≤ 10μM |
| Z81280 | Z81280 | NCI-H226 (Non-small Cell Lung Carcinoma Cells) | 1900 | 0.35 | Functional ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 10000 | 0.30 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Circadian Clock | |
| Nitric oxide stimulates guanylate cyclase | |
| NOTCH1 Intracellular Domain Regulates Transcription | |
| Oxygen-dependent asparagine hydroxylation of Hypoxia-inducible Factor Alpha | |
| Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha | |
| Regulation of gene expression by Hypoxia-inducible Factor |
No pre-computed analogs available. Try a structural similarity search.