| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 18 | Yes |
Popular Name: Ganciclovir Ganciclovir
Find On: PubMed — Wikipedia — Google
CAS Numbers: 107910-75-8 , 1189966-73-1 , 82410-32-0 , [107910-75-8] , [82410-32-0]
107910-75-8 (mono-hydrochloride salt)
107910-75-8; Cytovene IV (TN); D04301; Ganciclovir sodium (USAN)
2-(6-Amino-purin-9-ylmethoxy)-propane-1,3-diol
2-Amino-1,9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-6-H-purin-6-one
2-Amino-9-(((1,3-dihydroxypropan-2-yl)oxy)methyl)-1H-purin-6(9H)-one
2-amino-9-((1,3-dihydroxypropan-2-yloxy)methyl)-1H-purin-6(9H)-one
2-amino-9-((1,3-dihydroxypropan-2-yloxy)methyl)-3H-purin-6(9H)-one
2-amino-9-((1,3-dihydroxypropan-2-yloxy)methyl)-9H-purin-6-ol
2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one
2-Amino-9-(2-hydroxy-1-hydroxymethyl-ethoxymethyl)-1,9-dihydro-purin-6-one
2-amino-9-(2-hydroxy-1-hydroxymethylethoxymethyl)-6,9-dihydro-1H-6-purinone
2-Amino-9-{[(1,3-dihydroxy-2-propanyl)oxy]methyl}-3,9-dihydro-6H-purin-6-one
2-amino-9-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-1,9-dihydro-6H-purin-6-one
2-amino-9-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-6,9-dihydro-3H-purin-6-one
6H-Purin-6-one, 2-amino-1,9-dihydro-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-
82410-32-0; Cytovene (TN); D00333; Ganciclovir (JAN/USP/INN); Vitrasert (TN)
82410-32-0; Ganciclovir; Prestwick_1068
9-((1,3-Dihydroxy-2-propoxy)methyl)guanine
9-((2-Hydroxy-1-(hydroxymethyl)ethoxy)methyl)guanine
9-(1,3-Dihydroxy-2-propoxymethyl)guanine
9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE
9-[(1,3-Dihydroxy-2-propoxy)methyl]guanine
BW-759U; RS-21592; RS-21592 Sodium
CPD000058324; Ganciclovir; SAM002548936
Ganciclovir & C34-dgA immunotoxin
Ganciclovir & D5-dgA immunotoxin
Ganciclovir [USAN:INN:BAN:JAN]
Ganciclovir, Antibiotic for Culture Media Use Only
Guanine, 9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-
Guanine, 9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)- and MSL, neutralizing monoclonal antibody
| 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) | -2.16 | -1.32 | -22.09 | 5 | 9 | 0 | 139 | 255.234 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.16e+01 g/l | DrugBank-approved |
| MP | 254 - 256 | Enamine Building Blocks |
| MP | 254...256 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 99% | APIChem |
| biological_use | Active against herpes simplex virus types 1 and 2 | IBScreen Bioactives |
| biological_use | Administered (ivn) in treatment of cytomegalovirus | IBScreen Bioactives |
| Target | Antifection | Selleck Chemicals |
| Therapy | antiviral | SMDC Iconix |
| biological_use | Antiviral agent | IBScreen Bioactives IBScreen Bioactives |
| UniProt Database Links | GCVK_HHV6U; GCVK_HHV6Z; GCVK_HHV7J; GCVK_SHV21; S47A1_HUMAN; S47A1_MOUSE; S47A1_PONAB; S47A2_HUMAN; S47A2_PONAB; S47A2_RABIT; SAP3_HUMAN; SAP3_MACFA; SAP3_MOUSE; UL97_HCMVA; UL97_HCMVM; UL97_HCMVT | ChEBI |
| Indications | herpes virus | KeyOrganics Bioactives |
| mechanism | Inhibitor of | ZereneX Building Blocks |
| mechanism | Inhibitor of viral-DNA-synthesis | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Enamine; NCC_SUPPLIER_STRUCTURE_ID : 241392101 | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Enamine; SUPPLIER_STRUCTURE_ID: 241392101 | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101794-1-O | Felid Herpesvirus 1 (cluster #1 Of 1), Other | Other | 8100 | 0.40 | Functional ≤ 10μM |
| Z50515-2-O | Human Herpesvirus 2 (cluster #2 Of 2), Other | Other | 60 | 0.56 | Functional ≤ 10μM |
| Z50517-1-O | Human Herpesvirus 5 Strain AD169 (cluster #1 Of 2), Other | Other | 990 | 0.47 | Functional ≤ 10μM |
| Z50518-3-O | Human Herpesvirus 4 (cluster #3 Of 5), Other | Other | 5000 | 0.41 | Functional ≤ 10μM |
| Z50527-3-O | Human Herpesvirus 3 (cluster #3 Of 3), Other | Other | 590 | 0.48 | Functional ≤ 10μM |
| Z50529-2-O | Cytomegalovirus (cluster #2 Of 2), Other | Other | 8800 | 0.39 | Functional ≤ 10μM |
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 990 | 0.47 | Functional ≤ 10μM |
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 500 | 0.49 | Functional ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 9000 | 0.39 | Functional ≤ 10μM |
| Z50604-1-O | Murid Herpesvirus 1 (cluster #1 Of 1), Other | Other | 5500 | 0.41 | Functional ≤ 10μM |
| Z50606-1-O | Hepatitis B Virus (cluster #1 Of 3), Other | Other | 4000 | 0.42 | Functional ≤ 10μM |
| Z80253-1-O | MEF (Embryonic Fibroblast Cells) (cluster #1 Of 1), Other | Other | 5000 | 0.41 | Functional ≤ 10μM |
| Z80291-2-O | MRC5 (Embryonic Lung Fibroblast Cells) (cluster #2 Of 3), Other | Other | 9400 | 0.39 | Functional ≤ 10μM |
| Z80823-1-O | E6SM (Embryonic Skin-muscle Fibroblast Cells) (cluster #1 Of 1), Other | Other | 1 | 0.70 | Functional ≤ 10μM |
| Z80942-1-O | HEL (Embryonic Lung Cells) (cluster #1 Of 2), Other | Other | 900 | 0.47 | Functional ≤ 10μM |
| Z80943-1-O | HEL 299 (cluster #1 Of 1), Other | Other | 630 | 0.48 | Functional ≤ 10μM |
| Z80954-1-O | HFF (Foreskin Fibroblasts) (cluster #1 Of 4), Other | Other | 8400 | 0.39 | Functional ≤ 10μM |
| Z81115-2-O | KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other | Other | 3500 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50529 | Z50529 | Cytomegalovirus | 1500 | 0.45 | Functional ≤ 10μM |
| Z80823 | Z80823 | E6SM (Embryonic Skin-muscle Fibroblast Cells) | 1.2 | 0.69 | Functional ≤ 10μM |
| Z101794 | Z101794 | Felid Herpesvirus 1 | 1200 | 0.46 | Functional ≤ 10μM |
| Z80942 | Z80942 | HEL (Embryonic Lung Cells) | 1000 | 0.47 | Functional ≤ 10μM |
| Z80943 | Z80943 | HEL 299 | 630 | 0.48 | Functional ≤ 10μM |
| Z50606 | Z50606 | Hepatitis B Virus | 4000 | 0.42 | Functional ≤ 10μM |
| Z80954 | Z80954 | HFF (Foreskin Fibroblasts) | 1200 | 0.46 | Functional ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 500 | 0.49 | Functional ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 100 | 0.54 | Functional ≤ 10μM |
| Z50515 | Z50515 | Human Herpesvirus 2 | 100 | 0.54 | Functional ≤ 10μM |
| Z50527 | Z50527 | Human Herpesvirus 3 | 1100 | 0.46 | Functional ≤ 10μM |
| Z50518 | Z50518 | Human Herpesvirus 4 | 50 | 0.57 | Functional ≤ 10μM |
| Z50530 | Z50530 | Human Herpesvirus 5 | 1000 | 0.47 | Functional ≤ 10μM |
| Z50517 | Z50517 | Human Herpesvirus 5 Strain AD169 | 1000 | 0.47 | Functional ≤ 10μM |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 3500 | 0.42 | Functional ≤ 10μM |
| Z80253 | Z80253 | MEF (Embryonic Fibroblast Cells) | 3400 | 0.43 | Functional ≤ 10μM |
| Z80291 | Z80291 | MRC5 (Embryonic Lung Fibroblast Cells) | 1400 | 0.46 | Functional ≤ 10μM |
| Z50604 | Z50604 | Murid Herpesvirus 1 | 5500 | 0.41 | Functional ≤ 10μM |
