UCSF

ZINC03988917

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 21 No

Popular Name: GW 441756 GW 441756

Find On: PubMed — Wikipedia — Google

CAS Numbers: 504433-23-2 , [504433-23-2]

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) 2.45 7 -10.99 1 4 0 51 275.311 1 ↓

Vendor Notes

Note Type Comments Provided By
Target Others Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NTRK1-1-E Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NTRK1_HUMAN P04629 Nerve Growth Factor Receptor Trk-A, Human 2 0.58 Binding ≤ 1μM
NTRK1_HUMAN P04629 Nerve Growth Factor Receptor Trk-A, Human 2 0.58 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% )