UCSF

ZINC58563818

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 37 Yes

Popular Name: UNC0321 (trifluoroacetate salt) UNC0321 (trifluoroacetate salt)

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) 2.60 15.88 -224.46 5 10 4 83 519.735 11 ↓
Hi High (pH 8-9.5) 2.60 13.89 -134.6 4 10 3 82 518.727 11 ↓
Hi High (pH 8-9.5) 2.60 15.62 -138.76 4 10 3 82 518.727 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EHMT1-1-E Histone-lysine N-methyltransferase, H3 Lysine-9 Specific 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 23 0.29 Binding ≤ 10μM
EHMT2-1-E Histone-lysine N-methyltransferase, H3 Lysine-9 Specific 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 9000 0.19 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 9 0.30 Binding ≤ 1μM
EHMT1_HUMAN Q9H9B1 Histone-lysine N-methyltransferase, H3 Lysine-9 Specific 5, Human 15 0.30 Binding ≤ 1μM
EHMT2_HUMAN Q96KQ7 Histone-lysine N-methyltransferase, H3 Lysine-9 Specific 3, Human 6000 0.20 Binding ≤ 10μM
EHMT1_HUMAN Q9H9B1 Histone-lysine N-methyltransferase, H3 Lysine-9 Specific 5, Human 15 0.30 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

Rings

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

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