UCSF

ZINC13737022

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 24 Yes

Popular Name: 3-butoxy-N-(3,5-dibromo-4-pyridyl)-4-methoxy-benzamide 3-butoxy-N-(3,5-dibromo-4-pyridy…

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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) 4.53 8.05 -10.57 1 5 0 60 458.15 7 ↓
Lo Low (pH 4.5-6) 4.53 8.33 -43.45 2 5 1 62 459.158 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
O77823-1-E Phosphodiesterase 4A (cluster #1 Of 1), Eukaryotic Eukaryotes 70 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
O77823_PIG O77823 Phosphodiesterase 4A, Pig 70 0.42 Binding ≤ 1μM
O77823_PIG O77823 Phosphodiesterase 4A, Pig 70 0.42 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
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.