UCSF

ZINC16052773

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2008 38 Yes

Popular Name: 2-[[4-[(3R,5R)-3,5-dimethylpiperazin-1-yl]phenyl]amino]-8-indan-5-yl-5-oxo-pyrido[6,5-d]pyrimidine-6 2-[[4-[(3R,5R)-3,5-dimethylpiper…

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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) 2.56 12.02 -23.31 4 9 0 118 509.614 5 ↓

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 7 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 7 0.30 Binding ≤ 1μM
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 7 0.30 Binding ≤ 10μM

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