UCSF

ZINC08143788

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2006 20 No

Popular Name: Artemisinin Artemisinin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 63968-64-9 , [63968-64-9]

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) 3.32 -0.99 -12.65 0 5 0 54 282.336 0 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links AMS1_ARTAN; DBR2_ARTAN; ECS1_ARTAN; TCTP_PLAYO ChEBI
Therapy antimalarial SMDC Iconix
biological_use Antimalarial agent IBScreen Bioactives IBScreen Bioactives
mechanism Inhibitor of PfATP6, a SERCA-type enzyme IBScreen Bioactives IBScreen Bioactives
mechanism Reactive oxygen radicals producer IBScreen Bioactives
biological_use Shows advantages for use against drug-resistant malarial strains IBScreen Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-1-O Plasmodium Falciparum (cluster #1 Of 22), Other Other 7 0.57 Functional ≤ 10μM
Z50425-1-O Plasmodium Falciparum (cluster #1 Of 22), Other Other 8 0.57 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 6.4 0.57 Functional ≤ 10μM

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