UCSF

ZINC26379222

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 19 Yes

Popular Name: 4-Piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline 4-Piperazin-1-yl-[1,2,4]triazolo…

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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) 0.89 6.13 -49.67 2 6 1 63 255.305 1 ↓
Hi High (pH 8-9.5) 0.89 4.71 -11.91 1 6 0 58 254.297 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE1B-2-E Phosphodiesterase 1B (cluster #2 Of 2), Eukaryotic Eukaryotes 3000 0.41 Functional ≤ 10μM
PDE1C-2-E Phosphodiesterase 1C (cluster #2 Of 2), Eukaryotic Eukaryotes 3000 0.41 Functional ≤ 10μM
Q9EPR9-1-E Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.41 Functional ≤ 10μM
Z50597-3-O Rattus Norvegicus (cluster #3 Of 12), Other Other 7000 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9EPR9_RAT Q9EPR9 Phosphodiesterase 1A, Rat 3000 0.41 Functional ≤ 10μM
PDE1B_RAT Q01066 Phosphodiesterase 1B, Rat 3000 0.41 Functional ≤ 10μM
PDE1C_RAT Q63421 Phosphodiesterase 1C, Rat 3000 0.41 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 3000 0.41 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Cam-PDE 1 activation
cGMP effects
G alpha (s) signalling events

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