UCSF

ZINC04212651

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 30 No

Popular Name: Closantel Closantel

Find On: PubMed — Wikipedia — Google

CAS Numbers: 57808-65-8 , 61438-64-0

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) 8.19 -0.06 -10.14 2 4 0 73 663.08 4 ↓

Vendor Notes

Note Type Comments Provided By
Indications anthelmintic KeyOrganics Bioactives
Indications antiparasitic KeyOrganics Bioactives
Indications antitussive KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q25615-1-E Chitinase (cluster #1 Of 1), Eukaryotic Eukaryotes 468 0.30 Binding ≤ 10μM
KINA-1-B Sporulation Kinase A (cluster #1 Of 1), Bacterial Bacteria 3800 0.25 Functional ≤ 10μM
SP0F-1-B Sporulation Initiation Phosphotransferase F (cluster #1 Of 1), Bacterial Bacteria 3800 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q25615_ONCVO Q25615 Chitinase, Oncvo 468 0.30 Binding ≤ 1μM
Q25615_ONCVO Q25615 Chitinase, Oncvo 1600 0.27 Binding ≤ 10μM
SP0F_BACSU P06628 Sporulation Initiation Phosphotransferase F, Bacsu 3800 0.25 Functional ≤ 10μM
KINA_BACSU P16497 Sporulation Kinase A, Bacsu 3800 0.25 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.