UCSF

ZINC44351716

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 41 No

Popular Name: 2-[4-[1-(2-hydroxyethyl)-4-piperidyl]anilino]-8-indan-5-yl-N-methoxy-5-oxo-pyrido[2,3-d]pyrimidine-6 2-[4-[1-(2-hydroxyethyl)-4-piper…

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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) 2.73 15.18 -46.5 4 10 1 123 555.659 8 ↓
Hi High (pH 8-9.5) 2.80 13.71 -85.04 3 10 0 129 554.651 8 ↓

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 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 1.3 0.30 Binding ≤ 1μM
CSF1R_MOUSE P09581 Macrophage Colony-stimulating Factor 1 Receptor, Mouse 1 0.31 Binding ≤ 1μM
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 1.3 0.30 Binding ≤ 10μM
CSF1R_MOUSE P09581 Macrophage Colony-stimulating Factor 1 Receptor, Mouse 1 0.31 Binding ≤ 10μM

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