| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 18 | Yes |
Popular Name: Penciclovir Penciclovir
Find On: PubMed — Wikipedia — Google
CAS Numbers: 39809-25-1 , 97845-62-0
2-Amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)butyl]-6H-purin-6-one
2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1,9-dihydro-6H-purin-6-one
2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3,9-dihydropurin-6-one
2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one
39809-25-1; C07417; Penciclovir
39809-25-1; D05407; Denavir (TN); Penciclovir (USAN/INN)
6H-Purin-6-one, 2-amino-1,9-dihydro-9-(4-hydroxy-3-(hydroxymethyl)butyl)-
6H-Purin-6-one, 2-amino-1,9-dihydro-9-(4-hydroxy-3-(hydroxymethyl)butyl)- & Human interferon-.alpha.
6H-Purin-6-one, 2-amino-1,9-dihydro-9-(4-hydroxy-3-(hydroxymethyl)butyl)- & Human interferon-.gamma.
6H-Purin-6-one, 2-amino-1,9-dihydro-9-(4-hydroxy-3-(hydroxymethyl)butyl)- & Human interferon-beta
9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE
9-(4-Hydroxy-3-(hydroxymethyl)butyl)guanine
9-(4-hydroxy-3-hydroxymethylbut-1-yl)-guanine
9-(4-hydroxy-3-hydroxymethylbut-1-yl)guanine
9-[2-hydroxy-1-(hydroxymethyl)-ethoxymethyl]guanine
9-[4-hydroxy-3-(hydroxymethyl)but-1-yl]guanine
97845-62-0 (mono-hydrochloride salt)
97845-62-0; D02124; Denavir (TN); Penciclovir sodium (USAN)
CPD000466317; PENCICLOVIR; SAM001246580
Penciclovir & Human interferon-.alpha.
Penciclovir & Human interferon-.beta.
Penciclovir & Human interferon-.gamma.
| 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) | -1.48 | 0.54 | -21.38 | 5 | 8 | 0 | 130 | 253.262 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 7.45e+00 g/l | DrugBank-approved |
| Purity | 97% | APIChem |
| Target | Antifection | Selleck Chemicals |
| Therapy | antiviral | SMDC Iconix |
| UniProt Database Links | CCBE1_DANRE | ChEBI |
| Indications | herpes virus | KeyOrganics Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01095p | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01095p | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50527-1-O | Human Herpesvirus 3 (cluster #1 Of 3), Other | Other | 140 | 0.53 | Functional ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 8650 | 0.39 | Functional ≤ 10μM |
| Z50606-1-O | Hepatitis B Virus (cluster #1 Of 3), Other | Other | 700 | 0.48 | Functional ≤ 10μM |
| Z80583-7-O | Vero (Kidney Cells) (cluster #7 Of 7), Other | Other | 8100 | 0.40 | Functional ≤ 10μM |
| Z81020-5-O | HepG2 (Hepatoblastoma Cells) (cluster #5 Of 8), Other | Other | 190 | 0.52 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50606 | Z50606 | Hepatitis B Virus | 3400 | 0.43 | Functional ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 190 | 0.52 | Functional ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 3900 | 0.42 | Functional ≤ 10μM |
| Z50527 | Z50527 | Human Herpesvirus 3 | 140 | 0.53 | Functional ≤ 10μM |
| Z80583 | Z80583 | Vero (Kidney Cells) | 6400 | 0.40 | Functional ≤ 10μM |
