| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 15 | No |
Popular Name: Lamivudine Lamivudine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 134678-17-4 , 134978-17-4 , 173522-96-8 , 480434-79-5 , [134678-17-4] , [173522-96-8]
(+/-) (Cis)-1-[2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine
(-)-(2'R,5'S)-1-[2'-Hydroxymethyl-5'-(1,3-oxathiolanyl)]cytosine
(-)-1-((2R,5S)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine
(-)-1-[(2R,5S)-2-(Hydroxymethyl)-1,3-Oxathiolan-5-yl]Cytosine
(-)-beta-L-2',3'-Dideoxy-3'-thiacytidine
(2R, 5S) -2-(Hydroxymethyl)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane salicylate
(2R,cis)-4-amino-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one
(2R,cis)-4-Amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl])-(1H)pyrimidin-2-one
.beta.-L-(-)-2',3'-dideoxy-3'-thiacytidine & Sho-Saiko-To
134678-17-4; 2',3'-Dideoxy-3'-thiacytidine; 3TC; C07065; Lamivudine
134678-17-4; D00353; Epivir (TN); Lamivudine (JAN/USP/INN)
2(1H)-Pyrimidinone, 4-amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-
2(1H)-Pyrimidinone, 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-cis)-
2(1H)-Pyrimidinone, 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-
2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl], (+/-) (Cis)
2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl], (-)(2R,5S)
3TC (AIDS INITIATIVE) (AIDS INITIATIVE)
3TC, Zeffix, Heptovir, Epivir, Epivir-HBV
3TC, Zeffix, Heptovir, Epivir, Epivir-HBV, Lamivudine
4-Amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone
4-Amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one
4-Amino-1-((2R,5S)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one
4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one
4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
beta-L-2',3'-Dideoxy-3'-thiacytidine
beta-L-3'-Thia-2',3'-dideoxycytidine
CPD000466319; LAMIVUDINE; SAM001246582
| 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) | -1.09 | -2.17 | -16.53 | 3 | 6 | 0 | 90 | 229.261 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 177 | TCI |
| ALOGPS_SOLUBILITY | 2.76e+00 g/l | DrugBank-approved |
| Purity | 95% | Fluorochem |
| biological_use | Active against hepatitis B virus and human immunodeficiency virus | IBScreen Bioactives |
| Indications | antiviral | KeyOrganics Bioactives |
| UniProt Database Links | DPOL_ASHV; DPOL_GSHV; DPOL_HBVA2; DPOL_HBVA3; DPOL_HBVA4; DPOL_HBVA5; DPOL_HBVA6; DPOL_HBVA7; DPOL_HBVA8; DPOL_HBVA9; DPOL_HBVB1; DPOL_HBVB2; DPOL_HBVB3; DPOL_HBVB4; DPOL_HBVB5; DPOL_HBVB6; DPOL_HBVB7; DPOL_HBVB8; DPOL_HBVC0; DPOL_HBVC1; DPOL_HBVC2; DPOL_ | ChEBI |
| Indications | hepatitis B, HIV | KeyOrganics Bioactives |
| mechanism | HIV reverse transcriptase inhibitor | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : L-9512; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE TO CREAM COLORED POWDER | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01125l | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| biological_use | Potent antiviral agent | IBScreen Bioactives IBScreen Bioactives |
| Target | Reverse Transcriptase | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: L-9512; SUPPLIER_COMMENTS: WHITE TO CREAM COLORED POWDER | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01125l | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100081-1-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other | Other | 27 | 0.71 | Functional ≤ 10μM |
| Z101829-1-O | HBV Genotype D (cluster #1 Of 1), Other | Other | 460 | 0.59 | Functional ≤ 10μM |
| Z50518-3-O | Human Herpesvirus 4 (cluster #3 Of 5), Other | Other | 400 | 0.60 | Functional ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 2200 | 0.53 | Functional ≤ 10μM |
| Z50606-1-O | Hepatitis B Virus (cluster #1 Of 3), Other | Other | 81 | 0.66 | Functional ≤ 10μM |
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 969 | 0.56 | Functional ≤ 10μM |
| Z50658-1-O | Human Immunodeficiency Virus 2 (cluster #1 Of 4), Other | Other | 2000 | 0.53 | Functional ≤ 10μM |
| Z50677-1-O | Human Immunodeficiency Virus (cluster #1 Of 3), Other | Other | 60 | 0.67 | Functional ≤ 10μM |
| Z50681-1-O | Duck Hepatitis B Virus (cluster #1 Of 2), Other | Other | 44 | 0.69 | Functional ≤ 10μM |
| Z50755-1-O | Anas Sp. (cluster #1 Of 1), Other | Other | 100 | 0.65 | Functional ≤ 10μM |
| Z80295-2-O | MT4 (Lymphocytes) (cluster #2 Of 8), Other | Other | 7000 | 0.48 | Functional ≤ 10μM |
| Z80947-1-O | Hepatoblastoma Cell Line (cluster #1 Of 1), Other | Other | 70 | 0.67 | Functional ≤ 10μM |
| Z80949-1-O | Hepatoma Cell Line (cluster #1 Of 1), Other | Other | 10 | 0.75 | Functional ≤ 10μM |
| Z81020-1-O | HepG2 (Hepatoblastoma Cells) (cluster #1 Of 8), Other | Other | 8 | 0.76 | Functional ≤ 10μM |
| Q72547-1-V | Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #1 Of 6), Viral | Viruses | 42 | 0.69 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 42 | 0.69 | Binding ≤ 1μM |
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 42 | 0.69 | Binding ≤ 10μM |
| Z50755 | Z50755 | Anas Sp. | 100 | 0.65 | Functional ≤ 10μM |
| Z50681 | Z50681 | Duck Hepatitis B Virus | 40 | 0.69 | Functional ≤ 10μM |
| Z101829 | Z101829 | HBV Genotype D | 30 | 0.70 | Functional ≤ 10μM |
| Z50606 | Z50606 | Hepatitis B Virus | 100 | 0.65 | Functional ≤ 10μM |
| Z80947 | Z80947 | Hepatoblastoma Cell Line | 70 | 0.67 | Functional ≤ 10μM |
| Z80949 | Z80949 | Hepatoma Cell Line | 10 | 0.75 | Functional ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 200 | 0.63 | Functional ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 2200 | 0.53 | Functional ≤ 10μM |
| Z50518 | Z50518 | Human Herpesvirus 4 | 400 | 0.60 | Functional ≤ 10μM |
| Z50677 | Z50677 | Human Immunodeficiency Virus | 1.8 | 0.82 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 1.8 | 0.82 | Functional ≤ 10μM |
| Z50658 | Z50658 | Human Immunodeficiency Virus 2 | 2000 | 0.53 | Functional ≤ 10μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 100 | 0.65 | Functional ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 11.6 | 0.74 | Functional ≤ 10μM |
