| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 22 | Yes |
Popular Name: Nylidrin hydrochloride Nylidrin hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 447-41-6 , 849-55-8 , 849-55-8, 447-41-6 , [849-55-8]
4-{1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]propyl}phenol
447-41-6; Buphenine (INN); D07551
849-55-8; Arlidin (TN); Buphenine hydrochloride; D01543; Nylidrin hydrochloride (JAN)
| 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) | 3.41 | 5.64 | -41.24 | 4 | 3 | 1 | 57 | 300.422 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 4.92 | -4.73 | 3 | 3 | 0 | 52 | 299.414 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Therapy | beta Adrenoceptor agonist; peripheral vasodilator | SMDC Iconix |
| therap | vasodilator (peripheral) | MicroSource Spectrum |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 3162 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 2511.88643 | 0.36 | Functional ≤ 10μM |
