In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2005 | 20 | No |
Popular Name: Pomalidomide Pomalidomide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 19171-19-8 , 9171-19-8 , [19171-19-8]
19171-19-8; D08976; Pomalidomide (JAN/USAN/INN)
4-Amino-2- isoindoline-1,3-dione
4-amino-2-(2,6-dioxo-3-piperidinyl)-1H-Isoindole-1,3(2H)-dione
4-Amino-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione
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) | -0.54 | -3.29 | -15.9 | 3 | 7 | 0 | 111 | 273.248 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 2.57e+00 g/l | DrugBank-approved |
Purity | 95% | Fluorochem |
Target | TNF-alpha, COX | Selleck Chemicals |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z100081-1-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 1), Other | Other | 13 | 0.55 | Binding ≤ 10μM |
Z50587-1-O | Homo Sapiens (cluster #1 Of 1), Other | Other | 25 | 0.53 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50587 | Z50587 | Homo Sapiens | 25 | 0.53 | Binding ≤ 1μM |
Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 13 | 0.55 | Binding ≤ 1μM |
Z50587 | Z50587 | Homo Sapiens | 25 | 0.53 | Binding ≤ 10μM |
Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 13 | 0.55 | Binding ≤ 10μM |