UCSF

ZINC29126077

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 34 Yes

Popular Name: 8-indan-5-yl-2-[3-(4-methylpiperazin-1-yl)propylamino]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxamide 8-indan-5-yl-2-[3-(4-methylpiper…

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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) 0.63 11.28 -56.55 4 9 1 111 462.578 7 ↓
Hi High (pH 8-9.5) 0.63 8.81 -23.22 3 9 0 109 461.57 7 ↓
Mid Mid (pH 6-8) 0.63 11.14 -60.34 4 9 1 111 462.578 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 1800 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 1800 0.24 Binding ≤ 10μM

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