UCSF

ZINC40952306

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 36 No

Popular Name: 8-cyclohexyl-N-methoxy-2-[4-(1-methyl-4-piperidyl)anilino]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxami 8-cyclohexyl-N-methoxy-2-[4-(1-m…

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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) 4.35 15.86 -45.93 3 9 1 103 491.616 6 ↓
Hi High (pH 8-9.5) 4.42 14.36 -83.01 2 9 0 109 490.608 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CSF1R-1-E Macrophage Colony-stimulating Factor 1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 5 0.32 Binding ≤ 1μM
CSF1R_MOUSE P09581 Macrophage Colony-stimulating Factor 1 Receptor, Mouse 2.5 0.33 Binding ≤ 1μM
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 5 0.32 Binding ≤ 10μM
CSF1R_MOUSE P09581 Macrophage Colony-stimulating Factor 1 Receptor, Mouse 2.5 0.33 Binding ≤ 10μM

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