UCSF

ZINC04243470

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 17 Yes

Popular Name: 4-Amino-7-phenylpteridine; 4-Pteridinamine, 7-phenyl-; 7-Phenyl-4-pteridinamine; LS-126294 4-Amino-7-phenylpteridine; 4-Pte…

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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) 1.41 4.41 -11.72 2 5 0 78 223.239 1 ↓
Lo Low (pH 4.5-6) 1.41 4.7 -29.93 3 5 1 79 224.247 1 ↓
Lo Low (pH 4.5-6) 1.41 0.33 -34.94 3 5 1 79 224.247 1 ↓

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 5500 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADK_RAT Q64640 Adenosine Kinase, Rat 5500 0.43 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine salvage

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

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