UCSF

ZINC01676303

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 17 No

Popular Name: BRN 0653280; Benzoic acid, 4-chloro-, 2-phenylhydrazide; Benzoic acid, p-chloro-, 2-phenylhydrazide; LS-36608; NSC 43664; beta-p-Chlorobenzoylphenylhydrazine; p-Chlorobenzoic acid 2-phenylhydrazide BRN 0653280; Benzoic acid, 4-chl…

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Other Names:

MFCD00626882

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) 3.27 -1.52 -7.51 2 3 0 41 246.697 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGH2-3-E Cyclooxygenase-2 (cluster #3 Of 8), Eukaryotic Eukaryotes 330 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 330 0.53 Binding ≤ 1μM
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 330 0.53 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nicotinamide salvaging
Synthesis of 15-eicosatetraenoic acid derivatives
Synthesis of Prostaglandins (PG) and Thromboxanes (TX)

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

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