UCSF

ZINC01997125

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 20 No

Popular Name: Pomalidomide Pomalidomide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 19171-19-8 , 9171-19-8 , [19171-19-8]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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 -3.54 -13.7 3 7 0 111 273.248 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.57e+00 g/l DrugBank-approved
Purity 95% Fluorochem
Target TNF-alpha, COX Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
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
Z100081-1-O PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 1), Other Other 93 0.49 Binding ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 1), Other Other 25 0.53 Binding ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 1), Other Other 73 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 14 0.55 Binding ≤ 1μM
Z100081 Z100081 PBMC (Peripheral Blood Mononuclear Cells) 3.9 0.59 Binding ≤ 1μM
Z50587 Z50587 Homo Sapiens 14 0.55 Binding ≤ 10μM
Z100081 Z100081 PBMC (Peripheral Blood Mononuclear Cells) 3.9 0.59 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )