UCSF

ZINC43025379

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 34 Yes

Popular Name: 7-(6-methoxy-3-pyridyl)-3-(2-morpholinoethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one 7-(6-methoxy-3-pyridyl)-3-(2-mor…

Find On: PubMed — Wikipedia — Google

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) 2.09 3.33 -9.55 1 10 0 104 468.558 11 ↓
Mid Mid (pH 6-8) 2.09 5.58 -45.56 2 10 1 105 469.566 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE11-1-E Phosphodiesterase 11A (cluster #1 Of 1), Eukaryotic Eukaryotes 346 0.27 Binding ≤ 10μM
PDE5A-1-E Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
PDE6A-1-E Rod CGMP-specific 3',5'-cyclic Phosphodiesterase Subunit Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 11 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE11_HUMAN Q9HCR9 Phosphodiesterase 11A, Human 346 0.27 Binding ≤ 1μM
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 0.1 0.41 Binding ≤ 1μM
PDE6A_HUMAN P16499 Phosphodiesterase 6A, Human 11.3 0.33 Binding ≤ 1μM
PDE11_HUMAN Q9HCR9 Phosphodiesterase 11A, Human 346 0.27 Binding ≤ 10μM
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 0.1 0.41 Binding ≤ 10μM
PDE6A_HUMAN P16499 Phosphodiesterase 6A, Human 11.3 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of the phototransduction cascade
Ca2+ pathway
cGMP effects
G alpha (s) signalling events
Inactivation, recovery and regulation of the phototransduction cascade

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

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