| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 23 | Yes |
Popular Name: Valacyclovir hydrochloride Valacyclovir hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 124832-26-4 , 124832-27-5 , [124832-26-4]
(S)-2-Amino-3-methyl-butyric acid 2-(2-amino-6-oxo-1,6-dihydro-purin-9-ylmethoxy)-ethyl ester
124832-26-4; D08664; Valaciclovir (INN); Valacyclovir; Valtrex (TN)
124832-27-5; BW 256U87; C07184; Valacyclovir; Valacyclovir hydrochloride
2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate
2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate
2-{[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]oxy}ethyl L-valinate
CPD000469208; SAM001246749; VALACICLOVIR HYDROCHLORIDE
CPD000469208; VALACICLOVIR HYDROCHLORIDE
INN); Valacyclovir Hydrochloride (FDA
L -valine, 2-[(2-amino-1,6-dihydro-6-oxo-9 H -purin-9-yl)methoxy]ethyl ester, monohydrochloride
L-Valine ester with 9-((2-hydroxyethoxy)methyl)guanine
L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester
Valacyclover Hydrochloric;Valacyclovir
| 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) | -1.23 | 3.28 | -58.12 | 6 | 10 | 1 | 153 | 325.349 | 8 | ↓ |
| Mid Mid (pH 6-8) | -1.23 | 2.92 | -19.96 | 5 | 10 | 0 | 151 | 324.341 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.55e+00 g/l | DrugBank-approved |
| Purity | >98% | APIChem |
| mechanism | Aciclo-GTP is a very potent inhibitor of viral DNA polymerase | IBScreen Bioactives |
| biological_use | Active against herpes simplex and herpes zoster (shingles), Varicella zoster virus (VZV), Epstein-Barr virus (EBV), Cytomegalovirus (CMV) | IBScreen Bioactives |
| Target | Antifection | Selleck Chemicals |
| Indications | antiviral | KeyOrganics Bioactives |
| biological_use | Antiviral agent | IBScreen Bioactives IBScreen Bioactives |
| PUBCHEM_PATENT_ID | EP0308065A2 | IBM Patent Data |
| Patent Database Links | EP1611877; EP1746098; EP1837020; EP1857108; EP1972332; US2003105066; US2005059684; US2005130993; US2005187229; US2005192296; US2006084668; US2006235023; US2007179112; US2007184059; US2007189977; US2007196323; US2007196325; US2007196452; US2007196453; US20 | ChEBI |
| Indications | herpes virus | KeyOrganics Bioactives |
| UniProt Database Links | KITH_EBVA8; KITH_EBVB9; KITH_EBVG; KITH_HHV2H; KITH_VZVD; KITH_VZVO | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP00800v; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| mechanism | Prodrug of aciclovir. | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP00800v; SALT: 1 hydrogen chloride | NIH Clinical Collection via PubChem |
No pre-computed analogs available. Try a structural similarity search.