UCSF

ZINC26420394

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 18 Yes

Popular Name: 6-[4-(1{H}-imidazol-1-yl)phenyl]pyridazin-3-ol 6-[4-(1{H}-imidazol-1-yl)phenyl]…

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Other Names:

MFCD16652682

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) 1.07 4.71 -16.85 1 5 0 64 238.25 2 ↓
Mid Mid (pH 6-8) 1.53 3.95 -47.26 0 5 -1 67 237.242 2 ↓
Mid Mid (pH 6-8) 1.07 5.26 -48.33 2 5 1 65 239.258 2 ↓
Mid Mid (pH 6-8) 1.53 4.64 -72.6 1 5 0 68 238.25 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE3A-2-E Phosphodiesterase 3A (cluster #2 Of 2), Eukaryotic Eukaryotes 7200 0.40 Binding ≤ 10μM
PDE3B-2-E Phosphodiesterase 3B (cluster #2 Of 2), Eukaryotic Eukaryotes 7200 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE3A_HUMAN Q14432 Phosphodiesterase 3A, Human 7200 0.40 Binding ≤ 10μM
PDE3B_HUMAN Q13370 Phosphodiesterase 3B, Human 7200 0.40 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
cGMP effects
G alpha (s) signalling events
PDE3B signalling

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

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