UCSF

ZINC43202325

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 38 No

Popular Name: 4-chloro-N-(4-chlorobenzoyl)-N-[2-(1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide 4-chloro-N-(4-chlorobenzoyl)-N-[…

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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) 4.00 13.66 -66.33 2 7 1 74 552.482 6 ↓
Hi High (pH 8-9.5) 4.00 11.55 -15.68 1 7 0 73 551.474 6 ↓

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 3400 0.20 Binding ≤ 10μM
PLD2-1-E Phospholipase D2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2500 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLD1_HUMAN Q13393 Phospholipase D1, Human 3400 0.20 Binding ≤ 10μM
PLD2_HUMAN O14939 Phospholipase D2, Human 1200 0.22 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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