UCSF

ZINC29064337

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 41 No

Popular Name: 8-ethyl-5-oxo-2-[4-(9H-xanthene-9-carbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-car 8-ethyl-5-oxo-2-[4-(9H-xanthene-…

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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) 3.50 15.55 -78.69 1 11 -1 133 569.623 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 2700 0.19 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ENPP2_HUMAN Q13822 Autotaxin, Human 1500 0.20 Binding ≤ 10μM

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

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