UCSF

ZINC36242863

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 34 Yes

Popular Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-5-ethyl-7-propyl-imidazo[5,1-f][1,2,4]triazin 2-[2-ethoxy-5-(4-methylpiperazin…

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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) 2.75 6.39 -15.58 1 10 0 113 488.614 8 ↓
Mid Mid (pH 6-8) 3.21 4.6 -57.42 0 10 -1 116 487.606 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE5A-1-E Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic Eukaryotes 8 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 8 0.33 Binding ≤ 1μM
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 8 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
cGMP effects

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