UCSF

ZINC01649496

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 22 Yes

Popular Name: W-7 HYDROCHLORIDE W-7 HYDROCHLORIDE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 61714-27-0 , 65595-90-6 , [61714-27-0]

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) 3.15 4.77 -49.67 4 4 1 74 341.884 8 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.72e-03 g/l DrugBank-experimental
Therapy Calmodulin antagonist; inhibits Ca2+/calmodulin regulated activation of phosphodiesterase and myosin light chain kinase SMDC MicroSource

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-2-O Plasmodium Falciparum (cluster #2 Of 22), Other Other 8800 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 8800 0.32 Functional ≤ 10μM

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