| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 20 | Yes |
Popular Name: Methyl 3-(N-(4-chloro-3-methylisoxazol-5-yl)sulfamoyl)thiophene-2-carboxylate Methyl 3-(N-(4-chloro-3-methylis…
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CAS Numbers: 184644-72-2 , [184644-72-2]
methyl-3-(N-(4-chloro-3-methylisoxazol-5-yl)sulfamoyl)thiophene-2-carboxylate
Methyl3-(N-(4-chloro-3-methylisoxazol-5-yl)sulfamoyl)thiophene-2-carboxylate
| 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) | 1.80 | 1.77 | -54.63 | 0 | 7 | -1 | 101 | 335.77 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA-3-E | Endothelin Receptor ET-A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 1090 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 1090 | 0.42 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
No pre-computed analogs available. Try a structural similarity search.