| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 18 | No |
Popular Name: Cidofovir Cidofovir
Find On: PubMed — Wikipedia — Google
CAS Numbers: 113852-37-2 , 149394-66-1 , [113852-37-2] , [149394-66-1]
(2S)-3-Hydroxy-2-phosphonylmethoxypropyl-cytosine
(S)-1-(3-Hydroxy-2-phosphonomethoxypropyl)cytosine
(S)-1-(3-hydroxy-2-phosphonomethoxypropyl)cytosine; (S)-HPMPC; CDV; Cidofovir; Cidofovir anhydrous
(S)-1-[3-hydroxy-2-(phosphonylmethoxy)-propyl]cytosine
(S)-2-(4-Amino-2-oxo-1(2H)-pyrimidinyl-1-(hydroxymethyl)ethoxy)methyl phosphonic acid
(s)-[[2-(4-amino-2-oxo-1(2h)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]phosphonic acid
({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid
1-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine
1-[(S)-3-Hydroxy-2-(phosphonomethoxy)propyl]-cytosine dihydrate
113852-37-2; C06909; Cidofovir; Cidofovir anhydrous
120362-37-0 (hydrochloride salt)
149394-66-1; Cidofovir (USAN/INN); Cidofovir dihydrate; D00273; Vistide (TN)
Phosphonic acid, ((2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)-, (S)-
Phosphonic acid, [[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
| 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) | -2.70 | -5.05 | -52.83 | 4 | 9 | -1 | 151 | 278.181 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.15e+01 g/l | DrugBank-approved |
| Purity | 97% | Fluorochem |
| UniProt Database Links | IFT81_HUMAN; IFT81_MOUSE; IFT81_RAT; S226A_XENLA; S226B_XENLA; S22A6_BOVIN; S22A6_DANRE; S22A6_HUMAN; S22A6_MACFA; S22A6_MOUSE; S22A6_PIG; S22A6_PONAB; S22A6_PSEAM; S22A6_RABIT; S22A6_RAT | ChEBI |
| Target | Others | Selleck Chemicals |
| UniProt Database Links | S226A_XENLA; S226B_XENLA; S22A6_BOVIN; S22A6_DANRE; S22A6_HUMAN; S22A6_MACFA; S22A6_MOUSE; S22A6_PIG; S22A6_PONAB; S22A6_PSEAM; S22A6_RABIT; S22A6_RAT | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101697-1-O | Camelpox Virus (cluster #1 Of 1), Other | Other | 8800 | 0.39 | Functional ≤ 10μM |
| Z101794-1-O | Felid Herpesvirus 1 (cluster #1 Of 1), Other | Other | 1300 | 0.46 | Functional ≤ 10μM |
| Z101848-1-O | Human Herpesvirus 8 (cluster #1 Of 1), Other | Other | 64 | 0.56 | Functional ≤ 10μM |
| Z102080-1-O | Simplexvirus (cluster #1 Of 1), Other | Other | 3300 | 0.43 | Functional ≤ 10μM |
| Z102131-1-O | Vaccinia Virus Copenhagen (cluster #1 Of 1), Other | Other | 9800 | 0.39 | Functional ≤ 10μM |
| Z50515-2-O | Human Herpesvirus 2 (cluster #2 Of 2), Other | Other | 9500 | 0.39 | Functional ≤ 10μM |
| Z50517-1-O | Human Herpesvirus 5 Strain AD169 (cluster #1 Of 2), Other | Other | 95 | 0.55 | Functional ≤ 10μM |
| Z50518-3-O | Human Herpesvirus 4 (cluster #3 Of 5), Other | Other | 480 | 0.49 | Functional ≤ 10μM |
| Z50527-3-O | Human Herpesvirus 3 (cluster #3 Of 3), Other | Other | 70 | 0.56 | Functional ≤ 10μM |
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 940 | 0.47 | Functional ≤ 10μM |
| Z50599-1-O | Cowpox Virus (cluster #1 Of 1), Other | Other | 9000 | 0.39 | Functional ≤ 10μM |
| Z50600-1-O | Vaccinia Virus (cluster #1 Of 2), Other | Other | 9400 | 0.39 | Functional ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 570 | 0.49 | Functional ≤ 10μM |
| Z50604-1-O | Murid Herpesvirus 1 (cluster #1 Of 1), Other | Other | 40 | 0.58 | Functional ≤ 10μM |
| Z50624-1-O | Human Adenovirus Type 2 (cluster #1 Of 1), Other | Other | 3100 | 0.43 | Functional ≤ 10μM |
| Z80291-2-O | MRC5 (Embryonic Lung Fibroblast Cells) (cluster #2 Of 3), Other | Other | 10000 | 0.39 | Functional ≤ 10μM |
| Z80335-1-O | NHDF (cluster #1 Of 2), Other | Other | 500 | 0.49 | Functional ≤ 10μM |
| Z80709-1-O | Osteoclast-like (Bone Marrow Cells) (cluster #1 Of 1), Other | Other | 10000 | 0.39 | Functional ≤ 10μM |
| Z80942-1-O | HEL (Embryonic Lung Cells) (cluster #1 Of 2), Other | Other | 600 | 0.48 | Functional ≤ 10μM |
| Z80954-1-O | HFF (Foreskin Fibroblasts) (cluster #1 Of 1), Other | Other | 1900 | 0.44 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101697 | Z101697 | Camelpox Virus | 5300 | 0.41 | Functional ≤ 10μM |
| Z50599 | Z50599 | Cowpox Virus | 10000 | 0.39 | Functional ≤ 10μM |
| Z101794 | Z101794 | Felid Herpesvirus 1 | 1300 | 0.46 | Functional ≤ 10μM |
| Z80942 | Z80942 | HEL (Embryonic Lung Cells) | 1000 | 0.47 | Functional ≤ 10μM |
| Z50624 | Z50624 | Human Adenovirus Type 2 | 3100 | 0.43 | Functional ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 1000 | 0.47 | Functional ≤ 10μM |
| Z50515 | Z50515 | Human Herpesvirus 2 | 1000 | 0.47 | Functional ≤ 10μM |
| Z50527 | Z50527 | Human Herpesvirus 3 | 100 | 0.54 | Functional ≤ 10μM |
| Z50518 | Z50518 | Human Herpesvirus 4 | 480 | 0.49 | Functional ≤ 10μM |
| Z50530 | Z50530 | Human Herpesvirus 5 | 110 | 0.54 | Functional ≤ 10μM |
| Z50517 | Z50517 | Human Herpesvirus 5 Strain AD169 | 1000 | 0.47 | Functional ≤ 10μM |
| Z101848 | Z101848 | Human Herpesvirus 8 | 64 | 0.56 | Functional ≤ 10μM |
| Z80291 | Z80291 | MRC5 (Embryonic Lung Fibroblast Cells) | 10000 | 0.39 | Functional ≤ 10μM |
| Z50604 | Z50604 | Murid Herpesvirus 1 | 40 | 0.58 | Functional ≤ 10μM |
| Z80335 | Z80335 | NHDF | 500 | 0.49 | Functional ≤ 10μM |
| Z80709 | Z80709 | Osteoclast-like (Bone Marrow Cells) | 10000 | 0.39 | Functional ≤ 10μM |
| Z102080 | Z102080 | Simplexvirus | 3300 | 0.43 | Functional ≤ 10μM |
| Z50600 | Z50600 | Vaccinia Virus | 10000 | 0.39 | Functional ≤ 10μM |
| Z102131 | Z102131 | Vaccinia Virus Copenhagen | 9800 | 0.39 | Functional ≤ 10μM |
| Z80954 | Z80954 | HFF (Foreskin Fibroblasts) | 1900 | 0.44 | ADME/T ≤ 10μM |
