UCSF

ZINC00509842

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 Yes

Popular Name: DNC011985 DNC011985

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) 3.74 -1.52 -9.48 1 4 0 50 312.376 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE1A-1-E Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.30 Binding ≤ 10μM
PDE1B-1-E Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.30 Binding ≤ 10μM
PDE4A-3-E Phosphodiesterase 4A (cluster #3 Of 3), Eukaryotic Eukaryotes 7500 0.30 Binding ≤ 10μM
PDE4B-2-E Phosphodiesterase 4B (cluster #2 Of 2), Eukaryotic Eukaryotes 7500 0.30 Binding ≤ 10μM
PDE4C-2-E Phosphodiesterase 4C (cluster #2 Of 2), Eukaryotic Eukaryotes 7500 0.30 Binding ≤ 10μM
PDE4D-2-E Phosphodiesterase 4D (cluster #2 Of 2), Eukaryotic Eukaryotes 7500 0.30 Binding ≤ 10μM
PDE5A-1-E Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic Eukaryotes 310 0.38 Binding ≤ 10μM
THAS-2-E Thromboxane-A Synthase (cluster #2 Of 3), Eukaryotic Eukaryotes 830 0.35 Binding ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 1800 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 310 0.38 Binding ≤ 1μM
THAS_HUMAN P24557 Thromboxane-A Synthase, Human 830 0.35 Binding ≤ 1μM
PDE1A_BOVIN P14100 Phosphodiesterase 1A, Bovin 7000 0.30 Binding ≤ 10μM
PDE1B_BOVIN Q01061 Phosphodiesterase 1B, Bovin 7000 0.30 Binding ≤ 10μM
PDE4A_RAT P54748 Phosphodiesterase 4A, Rat 7500 0.30 Binding ≤ 10μM
PDE4B_RAT P14646 Phosphodiesterase 4B, Rat 7500 0.30 Binding ≤ 10μM
PDE4C_RAT P14644 Phosphodiesterase 4C, Rat 7500 0.30 Binding ≤ 10μM
PDE4D_RAT P14270 Phosphodiesterase 4D, Rat 7500 0.30 Binding ≤ 10μM
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 310 0.38 Binding ≤ 10μM
THAS_HUMAN P24557 Thromboxane-A Synthase, Human 830 0.35 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 1800 0.34 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Cam-PDE 1 activation
cGMP effects
DARPP-32 events
Eicosanoids
G alpha (s) signalling events
Synthesis of Prostaglandins (PG) and Thromboxanes (TX)

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

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