UCSF

ZINC72141366

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2012 44 No

Popular Name: 1-[2-[4-(4-methoxybenzoyl)oxyphenyl]ethyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzimidazole-5-carb 1-[2-[4-(4-methoxybenzoyl)oxyphe…

Find On: PubMed — Wikipedia — Google

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) 7.40 18.83 -54.66 1 9 -1 126 602.545 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EHMT2-1-E Histone-lysine N-methyltransferase, H3 Lysine-9 Specific 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 106 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EHMT2_HUMAN Q96KQ7 Histone-lysine N-methyltransferase, H3 Lysine-9 Specific 3, Human 106 0.22 Binding ≤ 1μM
EHMT2_HUMAN Q96KQ7 Histone-lysine N-methyltransferase, H3 Lysine-9 Specific 3, Human 106 0.22 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
RNA Polymerase I Transcription Initiation
Senescence-Associated Secretory Phenotype (SASP)

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

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