| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 16 | Yes |
Popular Name: Proflavine hemisulfate Proflavine hemisulfate
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 1811-28-5 , 531-73-7 , 553-30-0, 1811-28-5 , 92-62-6 , 952-23-8 , [1811-28-5]
2,8-Diaminoacridine (European)
2,8-Diaminoacridine; 3,6-acridinediamine; Proflavin; Proflavine
3,6-acridinediamine dihydrochloride
3,6-Acridinediamine hydrochloride
5-22-11-00322 (Beilstein Handbook Reference)
acridine-3,6-diamine dihydrochloride
Acridine-3,6-diamine hydrochloride
InChI=1/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2
NF); Proflavine Dihydrochloride (MI
proflavina; proflavine; proflavinum
Proflavine (INN); Proflavine Dihydrochloride (MI
Proflavine (INN); Proflavine Sulfate (MI
| 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) | 1.27 | 3.23 | -23.24 | 5 | 3 | 1 | 66 | 210.26 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 2.85 | -13.27 | 4 | 3 | 0 | 65 | 209.252 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.04e-01 g/l | DrugBank-approved |
| Target | Antifection | Selleck Chemicals |
| Therapy | antiseptic | SMDC Pharmakon |
| Target | Others | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50417-3-O | Leishmania Infantum (cluster #3 Of 4), Other | Other | 1300 | 0.52 | Functional ≤ 10μM |
| Z80088-2-O | CHO (Ovarian Cells) (cluster #2 Of 4), Other | Other | 520 | 0.55 | Functional ≤ 10μM |
| Z80193-10-O | L1210 (Lymphocytic Leukemia Cells) (cluster #10 Of 12), Other | Other | 2700 | 0.49 | Functional ≤ 10μM |
| Z81034-6-O | A2780 (Ovarian Carcinoma Cells) (cluster #6 Of 10), Other | Other | 470 | 0.55 | Functional ≤ 10μM |
| Z80548-3-O | THP-1 (Acute Monocytic Leukemia Cells) (cluster #3 Of 4), Other | Other | 2210 | 0.49 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 470 | 0.55 | Functional ≤ 10μM |
| Z80088 | Z80088 | CHO (Ovarian Cells) | 1100 | 0.52 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 2700 | 0.49 | Functional ≤ 10μM |
| Z50417 | Z50417 | Leishmania Infantum | 120 | 0.61 | Functional ≤ 10μM |
| Z80548 | Z80548 | THP-1 (Acute Monocytic Leukemia Cells) | 2210 | 0.49 | ADME/T ≤ 10μM |
