| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 15 | Yes |
Popular Name: Ciclopirox Ciclopirox
Find On: PubMed — Wikipedia — Google
CAS Numbers: 29342-05-0 , 41621-49-2 , 41621-49-2, 29342-05-0 [c , [29342-05-0]
(6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridone)
2(1H)-Pyridinone, 6-cyclohexyl-1-hydroxy-4-methyl-
2(1H)-Pyridone, 6-cyclohexyl-1-hydroxy-4-methyl-
29342-05-0; Ciclopirox (USP/INN); D03488; Loprox (TN); Penlac (TN)
41621-49-2; Ciclopirox ethanolamine; Prestwick_785
41621-49-2; Ciclopirox olamine (JAN/USP); D01364; Loprox (TN)
6-CYCLOHEXYL-1-HYDROXY-4-METHYL-1H-PYRIDIN-2-ONE
6-cyclohexyl-1-hydroxy-4-methyl-2(1 H )-pyridinone
6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridinone
6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridone
6-Cyclohexyl-1-hydroxy-4-methyl-2-(1H)-pyridone
6-cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one
6-Cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one compound with 2-aminoethanol (1:1)
6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
Batrafen, Loprox, Mycoster, Stieprox, HOE 296b
Ciclopirox Olamin;Ciclopirox-Olamin;Ciclopiroxolamine;Ciclopiroxum [INN-Latin];HOE 296b;HOE-296b
| 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) | 2.86 | 7.29 | -56.87 | 0 | 3 | -1 | 45 | 206.265 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.41e+00 g/l | DrugBank-approved |
| Therapy | antifungal | SMDC Iconix |
| Target | ATPase | Selleck Chemicals |
| UniProt Database Links | CS111_YEAST; CSA1_CANAL; DOHH_LEIDO; PGA10_CANAL; PGA7_CANAL; SOD4_CANAL | ChEBI |
| UniProt Database Links | CS111_YEAST; DOHH_LEIDO; PGA7_CANAL | ChEBI |
| Target | Others | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50416-1-O | Aspergillus Fumigatus (cluster #1 Of 3), Other | Other | 4220 | 0.50 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 8200 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50416 | Z50416 | Aspergillus Fumigatus | 4220 | 0.50 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 8200 | 0.47 | Functional ≤ 10μM |
