UCSF

ZINC44351446

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 42 No

Popular Name: N-(2-hydroxyethyl)-8-indan-5-yl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxo-pyrido[2,3-d]py N-(2-hydroxyethyl)-8-indan-5-yl-…

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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) 1.99 12.95 -44.35 4 10 1 117 568.702 9 ↓
Hi High (pH 8-9.5) 1.99 10.58 -12.37 3 10 0 116 567.694 9 ↓
Mid Mid (pH 6-8) 1.99 12.83 -47.63 4 10 1 117 568.702 9 ↓

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 56 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 0.7 0.31 Binding ≤ 1μM
CSF1R_MOUSE P09581 Macrophage Colony-stimulating Factor 1 Receptor, Mouse 56 0.24 Binding ≤ 1μM
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 0.7 0.31 Binding ≤ 10μM
CSF1R_MOUSE P09581 Macrophage Colony-stimulating Factor 1 Receptor, Mouse 56 0.24 Binding ≤ 10μM

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