UCSF

ZINC34960348

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 39 Yes

Popular Name: 8-indan-5-yl-N-methyl-2-[4-(2-morpholinoethyl)anilino]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxamide 8-indan-5-yl-N-methyl-2-[4-(2-mo…

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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) 2.58 13.07 -10.83 2 9 0 101 524.625 7 ↓
Mid Mid (pH 6-8) 2.58 15.34 -47.74 3 9 1 103 525.633 7 ↓

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 55 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 1.4 0.32 Binding ≤ 1μM
CSF1R_MOUSE P09581 Macrophage Colony-stimulating Factor 1 Receptor, Mouse 55 0.26 Binding ≤ 1μM
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 1.4 0.32 Binding ≤ 10μM
CSF1R_MOUSE P09581 Macrophage Colony-stimulating Factor 1 Receptor, Mouse 55 0.26 Binding ≤ 10μM

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