| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2004 | 19 | No |
Popular Name: Lenalidomide Lenalidomide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 191732-72-6 , 443912-14-9 , [191732-72-6]
(3S)-3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione
191732-72-6; D04687; Lenalidomide (USAN/INN); Revlimid (TN)
2,6-Piperidinedione, 3-(4-amino-1,3-dihydro-1-oxo-2H- isoindol-2-yl)-
2,6-Piperidinedione, 3-(4-amino-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-
2,6-piperidinedione, 3-(4-amino-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-, (3S)-
3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-piperidinedione
3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione
3-(4-Amino-1-oxo-1,3-dihydro-isoindol-2-yl)-piperidine-2,6-dione
3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione
3-(7-Amino-3-oxo-1H-isoindol-2-yl)-piperidine-2,6-dione
3-(7-amino-3-oxo-1h-isoindol-2-yl)piperidine-2,6-dione
AMINOOXODIHYDROISOINDOLYLPIPERIDINEDION
CC-5013, Revlimid, Lenalidomide
D09813; Lenalidomide hydrate (JAN); Revlimid (TN)
| 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) | -0.78 | 0.69 | -13.77 | 3 | 6 | 0 | 93 | 259.265 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | . | ZereneX Building Blocks |
| ALOGPS_SOLUBILITY | 2.33e+00 g/l | DrugBank-approved |
| MP | 269-271° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| mechanism | Inhibits the expression of cyclooxygenase-2 (COX-2) | IBScreen Bioactives |
| mechanism | Interfering with the immune system and angiogenesis | IBScreen Bioactives IBScreen Bioactives |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Stored under Argon | Matrix Scientific |
| Indications | multiple myeloma, anticancer | KeyOrganics Bioactives |
| Target | TNF-alpha | Selleck Chemicals |
| biological_use | Used against multiple myeloma and myelodysplastic syndromes | ZereneX Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587-1-O | Homo Sapiens (cluster #1 Of 1), Other | Other | 480 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587 | Z50587 | Homo Sapiens | 100 | 0.52 | Binding ≤ 1μM |
| Z50587 | Z50587 | Homo Sapiens | 100 | 0.52 | Binding ≤ 10μM |
