UCSF

ZINC04199939

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 27 Yes

Popular Name: SOPHOFLAVESCENOL SOPHOFLAVESCENOL

Find On: PubMed — Wikipedia — Google

Other Names:

DNC012026

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) 4.70 -1.27 -13.97 3 6 0 100 368.385 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE3A-1-E Phosphodiesterase 3A (cluster #1 Of 2), Eukaryotic Eukaryotes 410 0.33 Binding ≤ 10μM
PDE3B-1-E Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic Eukaryotes 410 0.33 Binding ≤ 10μM
PDE4A-1-E Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic Eukaryotes 2550 0.29 Binding ≤ 10μM
PDE4B-1-E Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic Eukaryotes 2550 0.29 Binding ≤ 10μM
PDE4C-1-E Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic Eukaryotes 2550 0.29 Binding ≤ 10μM
PDE4D-1-E Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic Eukaryotes 2550 0.29 Binding ≤ 10μM
PDE5A-2-E Phosphodiesterase 5A (cluster #2 Of 2), Eukaryotic Eukaryotes 5 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE3A_RAT Q62865 Phosphodiesterase 3A, Rat 410 0.33 Binding ≤ 1μM
PDE3B_RAT Q63085 Phosphodiesterase 3B, Rat 410 0.33 Binding ≤ 1μM
PDE5A_RAT O54735 Phosphodiesterase 5A, Rat 13 0.41 Binding ≤ 1μM
PDE3A_RAT Q62865 Phosphodiesterase 3A, Rat 410 0.33 Binding ≤ 10μM
PDE3B_RAT Q63085 Phosphodiesterase 3B, Rat 410 0.33 Binding ≤ 10μM
PDE4A_RAT P54748 Phosphodiesterase 4A, Rat 2550 0.29 Binding ≤ 10μM
PDE4B_RAT P14646 Phosphodiesterase 4B, Rat 2550 0.29 Binding ≤ 10μM
PDE4C_RAT P14644 Phosphodiesterase 4C, Rat 2550 0.29 Binding ≤ 10μM
PDE4D_RAT P14270 Phosphodiesterase 4D, Rat 2550 0.29 Binding ≤ 10μM
PDE5A_RAT O54735 Phosphodiesterase 5A, Rat 13 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
cGMP effects
DARPP-32 events
G alpha (s) signalling events

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