UCSF

ZINC01537619

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 27 Yes

Popular Name: Pleconaril Pleconaril

Find On: PubMed — Wikipedia — Google

CAS Number: 153168-05-9

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) 4.77 4 -8.3 0 6 0 74 381.354 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q4U254-1-V Human Rhinovirus A Protease (cluster #1 Of 3), Viral Viruses 58 0.38 Binding ≤ 10μM
Z50665-1-O Enterovirus (cluster #1 Of 1), Other Other 136 0.36 Functional ≤ 10μM
Z50674-1-O Human Rhinovirus 2 (cluster #1 Of 1), Other Other 40 0.38 Functional ≤ 10μM
Z50692-1-O Human Rhinovirus 16 (cluster #1 Of 1), Other Other 570 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q4U254_9ENTO Q4U254 Human Rhinovirus A Protease, 9ento 58 0.38 Binding ≤ 1μM
Q4U254_9ENTO Q4U254 Human Rhinovirus A Protease, 9ento 58 0.38 Binding ≤ 10μM
Z50665 Z50665 Enterovirus 136 0.36 Functional ≤ 10μM
Z50692 Z50692 Human Rhinovirus 16 570 0.32 Functional ≤ 10μM
Z50674 Z50674 Human Rhinovirus 2 40 0.38 Functional ≤ 10μM

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