| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2004 | 28 | Yes |
Popular Name: SCH 79797 dihydrochloride SCH 79797 dihydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1216720-69-2 , 245520-69-8
| 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) | 5.46 | 13.73 | -25.06 | 4 | 5 | 1 | 70 | 372.496 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.46 | 13.43 | -11.84 | 3 | 5 | 0 | 69 | 371.488 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAR1-1-E | Proteinase Activated Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 56 | 0.36 | Binding ≤ 10μM |
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 3000 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAR1_HUMAN | P25116 | Proteinase Activated Receptor 1, Human | 56 | 0.36 | Binding ≤ 1μM |
| PAR1_HUMAN | P25116 | Proteinase Activated Receptor 1, Human | 56 | 0.36 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 300 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors | |
| Thrombin signalling through proteinase activated receptors (PARs) |
No pre-computed analogs available. Try a structural similarity search.