UCSF

ZINC42850913

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 40 No

Popular Name: 8-indan-5-yl-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxo-pyrido[2,3-d]pyrimidine-6 8-indan-5-yl-N-methyl-2-[4-[2-(4…

Find On: PubMed — Wikipedia — Google

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) 2.63 15.32 -42.9 3 9 1 97 538.676 7 ↓
Hi High (pH 8-9.5) 2.63 12.94 -10.12 2 9 0 95 537.668 7 ↓
Mid Mid (pH 6-8) 2.63 15.2 -45.99 3 9 1 97 538.676 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 26 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 1.2 0.31 Binding ≤ 1μM
CSF1R_MOUSE P09581 Macrophage Colony-stimulating Factor 1 Receptor, Mouse 26 0.27 Binding ≤ 1μM
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 1.2 0.31 Binding ≤ 10μM
CSF1R_MOUSE P09581 Macrophage Colony-stimulating Factor 1 Receptor, Mouse 26 0.27 Binding ≤ 10μM

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