UCSF

ZINC01542890

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 24 No

Popular Name: Idebenone Idebenone

Find On: PubMed — Wikipedia — Google

CAS Number: 58186-27-9

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) 4.20 1.23 -8.88 1 5 0 72 338.444 12 ↓

Vendor Notes

Note Type Comments Provided By
biological_use Cardiovascular agent IBScreen Bioactives
Therapy cognition enhancer, nootropic SMDC Iconix
biological_use Drug for enhancement of immune response IBScreen Bioactives
Indications Duchenne muscular dystrophy KeyOrganics Bioactives
mechanism Free radical scavenger IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP00400i NIH Clinical Collection via PubChem
biological_use Neuroprotective agent IBScreen Bioactives IBScreen Bioactives
biological_use Nootropic IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP00400i NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-11-O Rattus Norvegicus (cluster #11 Of 12), Other Other 1300 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 1300 0.34 Functional ≤ 10μM

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