UCSF

ZINC36382580

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 35 Yes

Popular Name: UNC0224 UNC0224

Find On: PubMed — Wikipedia — Google

CAS Number: 1197196-48-7

Other Names:

UNC 0224

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) 2.98 16.26 -229.92 5 9 4 74 489.709 9 ↓
Hi High (pH 8-9.5) 2.98 16.01 -141.56 4 9 3 73 488.701 9 ↓
Hi High (pH 8-9.5) 2.98 14.27 -139.08 4 9 3 73 488.701 9 ↓

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 58 0.29 Binding ≤ 10μM
EHMT2-1-E Histone-lysine N-methyltransferase, H3 Lysine-9 Specific 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 43 0.29 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 15 0.31 Binding ≤ 1μM
EHMT1_HUMAN Q9H9B1 Histone-lysine N-methyltransferase, H3 Lysine-9 Specific 5, Human 20 0.31 Binding ≤ 1μM
EHMT2_HUMAN Q96KQ7 Histone-lysine N-methyltransferase, H3 Lysine-9 Specific 3, Human 15 0.31 Binding ≤ 10μM
EHMT1_HUMAN Q9H9B1 Histone-lysine N-methyltransferase, H3 Lysine-9 Specific 5, Human 20 0.31 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.