UCSF

ZINC58540872

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 29 Yes

Popular Name: 3,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]benzamide 3,5-dichloro-N-[2-[4-(2-oxo-3H-b…

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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) 3.66 9.56 -52.91 3 6 1 71 434.347 5 ↓
Hi High (pH 8-9.5) 3.66 7.34 -15.87 2 6 0 70 433.339 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLD1-1-E Phospholipase D1 (cluster #1 Of 2), Eukaryotic Eukaryotes 85 0.34 Binding ≤ 10μM
PLD2-1-E Phospholipase D2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1900 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLD1_HUMAN Q13393 Phospholipase D1, Human 400 0.31 Binding ≤ 1μM
PLD1_HUMAN Q13393 Phospholipase D1, Human 400 0.31 Binding ≤ 10μM
PLD2_HUMAN O14939 Phospholipase D2, Human 1100 0.29 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Role of phospholipids in phagocytosis
Synthesis of PA
Synthesis of PG

Rings

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

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