| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 16 | Yes |
Popular Name: Acyclovir Acyclovir
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 141294-79-3 , 261506-45-0 , 59277-89-3 , 59277-89-3; 88713-38-6 , 69657-51-8 , [59277-89-3]
2-Amino-1,9-dihydro-9-((2-hydroxyethoxy)methyl)-6H-purin-6-one
2-Amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-6H-purin-6-one
2-Amino-9-((2-hydroxyethoxy)methyl)-1H-purin-6(9H)-one
2-Amino-9-(2-hydroxy-ethoxymethyl)-1,9-dihydro-purin-6-one
2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one
2-amino-9-[(2-hydroxyethoxy)methyl]-1,9-dihydro-6H-purin-6-one
2-amino-9-[(2-hydroxyethoxy)methyl]-6,9-dihydro-3H-purin-6-one
2-amino-9-{[(2-hydroxyethyl)oxy]methyl}-1,9-dihydro-6H-purin-6-one
59277-89-3; Aciclovir (JP16/INN); Acyclovir (USP); D00222; Zovirax (TN)
59277-89-3; Aciclovir; Acyclovir; C06810
59277-89-3; Acyclovir; CPD000058225; SAM002589967
59277-89-3; Acyclovir; Prestwick_6
69657-51-8; Acyclovir sodium (USAN); D02764; Zovirax (TN)
6H-Purin-6-one, 1,9-dihydro-2-amino-9-((2-hydroxyethoxy)methyl)-
6H-Purin-6-one, 2-amino-1,9-dihydro-9-((2-hydroxyethoxy)-methyl)-
6H-Purin-6-one, 2-amino-1,9-dihydro-9-((2-hydroxyethoxy)methyl)-
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-
6H-purin-6-one, 2-amino-3,9-dihydro-9-[(2-hydroxyethoxy)methyl]-
6H-Purin-6-one,2-amino-1,9-dihydro-9-((2-hydroxyethoxy)mehtyl)
9-((2-Hydroxyethoxy)methyl)guanine
9-(2-Hydroxyethoxy)methylguanine
9-(2-Hydroxyethoxymethyl)guanine
9-Hyroxyethoxymethylguanine;AC2;Aciclovier;Acycloguanosine;Acyclovir;Wellcome-248u
9-[(2-Hydroxyethoxy)- methyl]guanine
9-[(2-Hydroxyethoxy)-methyl]guanine
9-[(2-Hydroxyethoxy)Methyl]Guanine
Aciclovir, Acycloguanosine, Zovirax
Aciclovir, Acycloguanosine, Zovirax, Acyclovir
Acycloguanosine; Acyclovir; CPD000058225; SAM002589967
Acyclovir, Antibiotic for Culture Media Use Only
Bovine lactoferrin & 2-Amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-6H-purin-6-one
InChI=1/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15
Sodium 2-((2-amino-6-oxo-1H-purin-9(6H)-yl)methoxy)ethanolate
Sodium 2-((2-amino-6-oxo-1H-purin-9(6H)-yl)methoxy)ethanolate dihydrate
SODIUMAMINOOXOPURINYLMETHOXYETHANOLAT
| 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) | -1.61 | -0.6 | -19.69 | 4 | 8 | 0 | 119 | 225.208 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | . | ZereneX Building Blocks |
| MP | 256-257° | Oakwood Chemical |
| MP | 262 | TCI |
| ALOGPS_SOLUBILITY | 9.08e+00 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | APIChem |
| Purity | >98% | Matrix Scientific |
| mechanism | Aciclovir triphosphate competitively inhibits viral DNA polymerase and competes with the natural deoxyguanosine triphosphate, for incorporation into viral DNA. | IBScreen Bioactives |
| mechanism | and finally to the triphosphate by phosphoglycerate kinase, phosphoenolpyruvate carboxykinase, and pyruvate kinase. | IBScreen Bioactives |
| Target | Antifection | Selleck Chemicals |
| Indications | antiviral | KeyOrganics Bioactives |
| Therapy | Antiviral agent | SMDC Iconix |
| biological_use | Antiviral agent. | IBScreen Bioactives |
| Patent Database Links | EP0976750; EP1123935; EP1403269; EP1561460; EP1574213; EP1579874; EP1611877; EP1611879; EP1629835; EP1658846; EP1671624; EP1681065; EP1683517; EP1685843; EP1686113; EP1690927; EP1719543; EP1731155; EP1741425; EP1757270; EP1762226; EP1762614; EP1837020; EP | ChEBI |
| mechanism | Guanosine analog that acts as an antimetabolite. | IBScreen Bioactives |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| UniProt Database Links | KITH_EBVA8; KITH_EBVB9; KITH_EBVG; KITH_HHV1; KITH_HHV11; KITH_HHV1C; KITH_HHV1E; KITH_HHV1K; KITH_HHV1S; KITH_HHV23; KITH_HHV2H; KITH_VZVD; KITH_VZVO; S226A_XENLA; S22A6_BOVIN; S22A6_DANRE; S22A6_HUMAN; S22A6_MACFA; S22A6_MOUSE; S22A6_PIG; S22A6_PONAB; S | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : A-6946; NCC_SUPPLIER_SAMPLE_COMMENTS : YELLOWISH CRYSTALLINE POWDER | NIH Clinical Collection via PubChem |
| mechanism | Once incorporated, aciclovir triphosphate inhibits DNA synthesis by acting as a chain terminator. | IBScreen Bioactives |
| Target | Others | Selleck Chemicals |
| P phrase | P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Reactome Database Links | REACT_22250 | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: A-6946; SUPPLIER_COMMENTS: YELLOWISH CRYSTALLINE POWDER | NIH Clinical Collection via PubChem |
| biological_use | Used especially against herpes. | IBScreen Bioactives |
| mechanism | Viral (HSV-1, HSV-2 and VZV) thymidine kinase converts aciclovir to the aciclovir monophosphate, which is then converted to the diphosphate by cellular guanylate kinase, | IBScreen Bioactives |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101794-1-O | Felid Herpesvirus 1 (cluster #1 Of 1), Other | Other | 1000 | 0.53 | Functional ≤ 10μM |
| Z50515-2-O | Human Herpesvirus 2 (cluster #2 Of 2), Other | Other | 9600 | 0.44 | Functional ≤ 10μM |
| Z50517-1-O | Human Herpesvirus 5 Strain AD169 (cluster #1 Of 2), Other | Other | 7600 | 0.45 | Functional ≤ 10μM |
| Z50518-3-O | Human Herpesvirus 4 (cluster #3 Of 5), Other | Other | 6900 | 0.45 | Functional ≤ 10μM |
| Z50527-1-O | Human Herpesvirus 3 (cluster #1 Of 3), Other | Other | 900 | 0.53 | Functional ≤ 10μM |
| Z50527-3-O | Human Herpesvirus 3 (cluster #3 Of 3), Other | Other | 4900 | 0.46 | Functional ≤ 10μM |
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 7500 | 0.45 | Functional ≤ 10μM |
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 90 | 0.62 | Functional ≤ 10μM |
| Z50600-1-O | Vaccinia Virus (cluster #1 Of 2), Other | Other | 384 | 0.56 | Functional ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 990 | 0.53 | Functional ≤ 10μM |
| Z50606-1-O | Hepatitis B Virus (cluster #1 Of 3), Other | Other | 20 | 0.67 | Functional ≤ 10μM |
| Z80040-1-O | BHK-21 (Kidney Cells) (cluster #1 Of 1), Other | Other | 2000 | 0.50 | Functional ≤ 10μM |
| Z80291-2-O | MRC5 (Embryonic Lung Fibroblast Cells) (cluster #2 Of 3), Other | Other | 5000 | 0.46 | Functional ≤ 10μM |
| Z80414-1-O | Raji (B-lymphoblastic Cells) (cluster #1 Of 3), Other | Other | 2900 | 0.48 | Functional ≤ 10μM |
| Z80583-7-O | Vero (Kidney Cells) (cluster #7 Of 7), Other | Other | 7540 | 0.45 | Functional ≤ 10μM |
| Z80942-1-O | HEL (Embryonic Lung Cells) (cluster #1 Of 2), Other | Other | 900 | 0.53 | Functional ≤ 10μM |
| Z80954-1-O | HFF (Foreskin Fibroblasts) (cluster #1 Of 4), Other | Other | 8100 | 0.45 | Functional ≤ 10μM |
| Z81247-5-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #5 Of 9), Other | Other | 8710 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80040 | Z80040 | BHK-21 (Kidney Cells) | 2000 | 0.50 | Functional ≤ 10μM |
| Z101794 | Z101794 | Felid Herpesvirus 1 | 1000 | 0.53 | Functional ≤ 10μM |
| Z80942 | Z80942 | HEL (Embryonic Lung Cells) | 1100 | 0.52 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 110 | 0.61 | Functional ≤ 10μM |
| Z50606 | Z50606 | Hepatitis B Virus | 20 | 0.67 | Functional ≤ 10μM |
| Z80954 | Z80954 | HFF (Foreskin Fibroblasts) | 1100 | 0.52 | Functional ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 1100 | 0.52 | Functional ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 100 | 0.61 | Functional ≤ 10μM |
| Z50515 | Z50515 | Human Herpesvirus 2 | 1000 | 0.53 | Functional ≤ 10μM |
| Z50527 | Z50527 | Human Herpesvirus 3 | 3640 | 0.48 | Functional ≤ 10μM |
| Z50518 | Z50518 | Human Herpesvirus 4 | 1100 | 0.52 | Functional ≤ 10μM |
| Z50530 | Z50530 | Human Herpesvirus 5 | 3690 | 0.48 | Functional ≤ 10μM |
| Z50517 | Z50517 | Human Herpesvirus 5 Strain AD169 | 1000 | 0.53 | Functional ≤ 10μM |
| Z80291 | Z80291 | MRC5 (Embryonic Lung Fibroblast Cells) | 2500 | 0.49 | Functional ≤ 10μM |
| Z80414 | Z80414 | Raji (B-lymphoblastic Cells) | 2900 | 0.48 | Functional ≤ 10μM |
| Z50600 | Z50600 | Vaccinia Virus | 384 | 0.56 | Functional ≤ 10μM |
| Z80583 | Z80583 | Vero (Kidney Cells) | 100 | 0.61 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Organic anion transport |
