UCSF

ZINC13440025

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 21 Yes

Popular Name: 8-AMINOGUANOSINE 8-AMINOGUANOSINE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3868-32-4 , [3868-32-4]

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) -2.21 -5.54 -23.28 8 11 0 186 298.259 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0112632A2; EP0260491A1; EP0260491B1; EP0327590A1; EP0374096A1; EP0374096B1; EP0570519A1; EP0570519B1; EP0586523A1; EP0755255A1; EP0771204A1; EP0948256A1; US4500524; US4539205; US4643992; US4849411; US4921858; US4923872; US4948730; US4988702; US4996319 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PNPH-1-E Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.34 Binding ≤ 10μM
PNPH-1-E Purine Nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic Eukaryotes 1330 0.39 Functional ≤ 10μM
Z80285-1-O MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #1 Of 4), Other Other 3250 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PNPH_HUMAN P00491 Purine Nucleoside Phosphorylase, Human 1400 0.39 Binding ≤ 10μM
Z80285 Z80285 MOLT-4 (Acute T-lymphoblastic Leukemia Cells) 3250 0.37 Functional ≤ 10μM
PNPH_HUMAN P00491 Purine Nucleoside Phosphorylase, Human 1330 0.39 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine catabolism
Purine salvage

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