UCSF

ZINC13437951

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 24 Yes

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) 0.95 5.12 -12.05 1 8 0 114 323.312 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE4A-1-E Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic Eukaryotes 270 0.38 Binding ≤ 10μM
PDE4B-1-E Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic Eukaryotes 140 0.40 Binding ≤ 10μM
PDE4C-1-E Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic Eukaryotes 140 0.40 Binding ≤ 10μM
PDE4D-1-E Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic Eukaryotes 140 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE4A_RAT P54748 Phosphodiesterase 4A, Rat 270 0.38 Binding ≤ 1μM
PDE4A_HUMAN P27815 Phosphodiesterase 4A, Human 140 0.40 Binding ≤ 1μM
PDE4B_HUMAN Q07343 Phosphodiesterase 4B, Human 140 0.40 Binding ≤ 1μM
PDE4B_RAT P14646 Phosphodiesterase 4B, Rat 270 0.38 Binding ≤ 1μM
PDE4C_HUMAN Q08493 Phosphodiesterase 4C, Human 140 0.40 Binding ≤ 1μM
PDE4C_RAT P14644 Phosphodiesterase 4C, Rat 270 0.38 Binding ≤ 1μM
PDE4D_HUMAN Q08499 Phosphodiesterase 4D, Human 140 0.40 Binding ≤ 1μM
PDE4D_RAT P14270 Phosphodiesterase 4D, Rat 270 0.38 Binding ≤ 1μM
PDE4A_RAT P54748 Phosphodiesterase 4A, Rat 270 0.38 Binding ≤ 10μM
PDE4A_HUMAN P27815 Phosphodiesterase 4A, Human 140 0.40 Binding ≤ 10μM
PDE4B_HUMAN Q07343 Phosphodiesterase 4B, Human 140 0.40 Binding ≤ 10μM
PDE4B_RAT P14646 Phosphodiesterase 4B, Rat 270 0.38 Binding ≤ 10μM
PDE4C_HUMAN Q08493 Phosphodiesterase 4C, Human 140 0.40 Binding ≤ 10μM
PDE4C_RAT P14644 Phosphodiesterase 4C, Rat 270 0.38 Binding ≤ 10μM
PDE4D_RAT P14270 Phosphodiesterase 4D, Rat 270 0.38 Binding ≤ 10μM
PDE4D_HUMAN Q08499 Phosphodiesterase 4D, Human 140 0.40 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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

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