UCSF

ZINC03832269

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 19 Yes

Popular Name: 7-Deazaadenosine 7-Deazaadenosine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 69-33-0 , [69-33-0]

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) -0.93 -3.88 -15.82 5 8 0 127 266.257 2 ↓

Vendor Notes

Note Type Comments Provided By
Patent Database Links EP1700596; GB2103617; US2003105066; US2007248537; US2007269430; WO2008117079 ChEBI
UniProt Database Links S29A3_HUMAN ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADK-1-E Adenosine Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.37 Binding ≤ 10μM
Z50076-1-O Poliovirus (cluster #1 Of 2), Other Other 30 0.55 Functional ≤ 10μM
Z50530-1-O Human Herpesvirus 5 (cluster #1 Of 5), Other Other 500 0.46 Functional ≤ 10μM
Z50530-1-O Human Herpesvirus 5 (cluster #1 Of 5), Other Other 500 0.46 Functional ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 60 0.53 Functional ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 60 0.53 Functional ≤ 10μM
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 40 0.55 Functional ≤ 10μM
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 68 0.53 Functional ≤ 10μM
Z80945-1-O HEp-2 (Laryngeal Carcinoma Cells) (cluster #1 Of 4), Other Other 2 0.64 Functional ≤ 10μM
Z80954-1-O HFF (Foreskin Fibroblasts) (cluster #1 Of 4), Other Other 400 0.47 Functional ≤ 10μM
Z81115-2-O KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other Other 1000 0.44 Functional ≤ 10μM
Z80193-3-O L1210 (Lymphocytic Leukemia Cells) (cluster #3 Of 4), Other Other 40 0.55 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADK_HUMAN P55263 Adenosine Kinase, Human 10000 0.37 Binding ≤ 10μM
Z80945 Z80945 HEp-2 (Laryngeal Carcinoma Cells) 2 0.64 Functional ≤ 10μM
Z80954 Z80954 HFF (Foreskin Fibroblasts) 400 0.47 Functional ≤ 10μM
Z50587 Z50587 Homo Sapiens 60 0.53 Functional ≤ 10μM
Z50530 Z50530 Human Herpesvirus 5 500 0.46 Functional ≤ 10μM
Z81115 Z81115 KB (Squamous Cell Carcinoma) 1000 0.44 Functional ≤ 10μM
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 40 0.55 Functional ≤ 10μM
Z50076 Z50076 Poliovirus 30 0.55 Functional ≤ 10μM
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 40 0.55 ADME/T ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine salvage

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