UCSF

ZINC43206679

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 20 Yes

Popular Name: methoxy-dimethyl-propyl-BLAH methoxy-dimethyl-propyl-BLAH

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) 2.81 6.48 -10.31 0 5 0 52 270.336 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE10-1-E Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic Eukaryotes 7 0.57 Binding ≤ 10μM
PDE11-1-E Phosphodiesterase 11A (cluster #1 Of 1), Eukaryotic Eukaryotes 779 0.43 Binding ≤ 10μM
PDE2A-1-E Phosphodiesterase 2A (cluster #1 Of 1), Eukaryotic Eukaryotes 239 0.46 Binding ≤ 10μM
PDE3A-2-E Phosphodiesterase 3A (cluster #2 Of 2), Eukaryotic Eukaryotes 3700 0.38 Binding ≤ 10μM
PDE4A-3-E Phosphodiesterase 4A (cluster #3 Of 3), Eukaryotic Eukaryotes 5000 0.37 Binding ≤ 10μM
PDE5A-1-E Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic Eukaryotes 919 0.42 Binding ≤ 10μM
PDE7B-1-E Phosphodiesterase 7B (cluster #1 Of 1), Eukaryotic Eukaryotes 3100 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE10_HUMAN Q9Y233 Phosphodiesterase 10A, Human 32 0.52 Binding ≤ 1μM
PDE11_HUMAN Q9HCR9 Phosphodiesterase 11A, Human 779 0.43 Binding ≤ 1μM
PDE2A_HUMAN O00408 Phosphodiesterase 2A, Human 239 0.46 Binding ≤ 1μM
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 919 0.42 Binding ≤ 1μM
PDE10_HUMAN Q9Y233 Phosphodiesterase 10A, Human 32 0.52 Binding ≤ 10μM
PDE11_HUMAN Q9HCR9 Phosphodiesterase 11A, Human 779 0.43 Binding ≤ 10μM
PDE2A_HUMAN O00408 Phosphodiesterase 2A, Human 239 0.46 Binding ≤ 10μM
PDE3A_HUMAN Q14432 Phosphodiesterase 3A, Human 3700 0.38 Binding ≤ 10μM
PDE4A_HUMAN P27815 Phosphodiesterase 4A, Human 5000 0.37 Binding ≤ 10μM
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 919 0.42 Binding ≤ 10μM
PDE7B_HUMAN Q9NP56 Phosphodiesterase 7B, Human 3100 0.39 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% )

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