UCSF

ZINC28351120

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 34 Yes

Popular Name: ethyl ethyl

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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) 2.71 9.13 -21.29 2 10 0 126 502.622 9 ↓
Mid Mid (pH 6-8) 2.71 9.16 -38.01 3 10 1 128 503.63 9 ↓
Lo Low (pH 4.5-6) 2.71 9.59 -49.82 3 10 1 128 503.63 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE7A-1-E Phosphodiesterase 7A (cluster #1 Of 1), Eukaryotic Eukaryotes 340 0.27 Binding ≤ 10μM
PDE7B-1-E Phosphodiesterase 7B (cluster #1 Of 1), Eukaryotic Eukaryotes 340 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE7A_HUMAN Q13946 Phosphodiesterase 7A, Human 340 0.27 Binding ≤ 1μM
PDE7A_RAT O08593 Phosphodiesterase 7A, Rat 340 0.27 Binding ≤ 1μM
PDE7B_HUMAN Q9NP56 Phosphodiesterase 7B, Human 340 0.27 Binding ≤ 1μM
PDE7A_RAT O08593 Phosphodiesterase 7A, Rat 340 0.27 Binding ≤ 10μM
PDE7A_HUMAN Q13946 Phosphodiesterase 7A, Human 340 0.27 Binding ≤ 10μM
PDE7B_HUMAN Q9NP56 Phosphodiesterase 7B, Human 340 0.27 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (s) signalling events

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