UCSF

ZINC00274067

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 Yes

Popular Name: DNC011964 DNC011964

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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) 5.03 11.82 -9.6 1 3 0 38 311.388 4 ↓
Lo Low (pH 4.5-6) 5.03 12.16 -23.9 2 3 1 39 312.396 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE4A-3-E Phosphodiesterase 4A (cluster #3 Of 3), Eukaryotic Eukaryotes 8200 0.30 Binding ≤ 10μM
PDE4B-2-E Phosphodiesterase 4B (cluster #2 Of 2), Eukaryotic Eukaryotes 8200 0.30 Binding ≤ 10μM
PDE4C-2-E Phosphodiesterase 4C (cluster #2 Of 2), Eukaryotic Eukaryotes 8200 0.30 Binding ≤ 10μM
PDE4D-2-E Phosphodiesterase 4D (cluster #2 Of 2), Eukaryotic Eukaryotes 8200 0.30 Binding ≤ 10μM
PDE5A-1-E Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic Eukaryotes 320 0.38 Binding ≤ 10μM
SC6A3-1-E Dopamine Transporter (cluster #1 Of 3), Eukaryotic Eukaryotes 7900 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 320 0.38 Binding ≤ 1μM
SC6A3_RAT P23977 Dopamine Transporter, Rat 7900 0.30 Binding ≤ 10μM
PDE4A_RAT P54748 Phosphodiesterase 4A, Rat 8200 0.30 Binding ≤ 10μM
PDE4B_RAT P14646 Phosphodiesterase 4B, Rat 8200 0.30 Binding ≤ 10μM
PDE4C_RAT P14644 Phosphodiesterase 4C, Rat 8200 0.30 Binding ≤ 10μM
PDE4D_RAT P14270 Phosphodiesterase 4D, Rat 8200 0.30 Binding ≤ 10μM
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 320 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
cGMP effects
DARPP-32 events
Dopamine clearance from the synaptic cleft
G alpha (s) signalling events
Na+/Cl- dependent neurotransmitter transporters

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