UCSF

ZINC00084617

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 25 No

Popular Name: RG 108 RG 108

Find On: PubMed — Wikipedia — Google

CAS Numbers: 32675-71-1 , 48208-26-0

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) 2.71 10.05 -63.75 1 6 -1 95 333.323 4 ↓

Vendor Notes

Note Type Comments Provided By
Indications anticancer KeyOrganics Bioactives
Indications antineoplastic KeyOrganics Bioactives
Notes DNA methyltransferase inhibitor. Reactivates tumour suppressor in gene expression in tumour cells. Apollo Scientific Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MTSI-2-B CpG DNA Methylase (cluster #2 Of 2), Bacterial Bacteria 600 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MTSI_SPISQ P15840 CpG DNA Methylase, Spisq 600 0.35 Binding ≤ 1μM
MTSI_SPISQ P15840 CpG DNA Methylase, Spisq 600 0.35 Binding ≤ 10μM

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