UCSF

ZINC40423726

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 38 No

Popular Name: 8-(4,4-dimethylcyclohexyl)-N-methoxy-2-[4-(1-methyl-4-piperidyl)anilino]-5-oxo-pyrido[2,3-d]pyrimidi 8-(4,4-dimethylcyclohexyl)-N-met…

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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) 4.53 16.74 -46.79 3 9 1 103 519.67 6 ↓
Hi High (pH 8-9.5) 4.60 15.28 -85.8 2 9 0 109 518.662 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 1 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 0.4 0.35 Binding ≤ 1μM
CSF1R_MOUSE P09581 Macrophage Colony-stimulating Factor 1 Receptor, Mouse 1 0.33 Binding ≤ 1μM
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 0.4 0.35 Binding ≤ 10μM
CSF1R_MOUSE P09581 Macrophage Colony-stimulating Factor 1 Receptor, Mouse 1 0.33 Binding ≤ 10μM

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