UCSF

ZINC13985942

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 27 Yes

Popular Name: GW2580 GW2580

Find On: PubMed — Wikipedia — Google

CAS Numbers: 870483-87-7 , [870483-87-7]

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) 2.66 7.74 -13.83 4 7 0 106 366.421 7 ↓
Mid Mid (pH 6-8) 2.66 8.05 -40.97 5 7 1 107 367.429 7 ↓
Mid Mid (pH 6-8) 2.66 4.34 -40.03 5 7 1 107 367.429 7 ↓

Vendor Notes

Note Type Comments Provided By
Target CSF-1R Selleck Chemicals

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 30 0.39 Binding ≤ 10μM
NTRK1-1-E Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic Eukaryotes 630 0.32 Binding ≤ 10μM
NTRK2-1-E Neurotrophic Tyrosine Kinase Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 36 0.39 Binding ≤ 10μM
NTRK3-1-E NT-3 Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 120 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 1.6 0.46 Binding ≤ 1μM
NTRK1_HUMAN P04629 Nerve Growth Factor Receptor Trk-A, Human 630 0.32 Binding ≤ 1μM
NTRK2_HUMAN Q16620 Neurotrophic Tyrosine Kinase Receptor Type 2, Human 36 0.39 Binding ≤ 1μM
NTRK3_HUMAN Q16288 NT-3 Growth Factor Receptor, Human 120 0.36 Binding ≤ 1μM
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 1.6 0.46 Binding ≤ 10μM
NTRK1_HUMAN P04629 Nerve Growth Factor Receptor Trk-A, Human 630 0.32 Binding ≤ 10μM
NTRK2_HUMAN Q16620 Neurotrophic Tyrosine Kinase Receptor Type 2, Human 36 0.39 Binding ≤ 10μM
NTRK3_HUMAN Q16288 NT-3 Growth Factor Receptor, Human 120 0.36 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
ARMS-mediated activation
Frs2-mediated activation
NGF-independant TRKA activation
PI3K/AKT activation
PLC-gamma1 signalling
Retrograde neurotrophin signalling
Signalling to p38 via RIT and RIN
Signalling to RAS
Signalling to STAT3
TRKA activation by NGF

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