UCSF

ZINC06745792

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 34 Yes

Popular Name: R406 R406

Find On: PubMed — Wikipedia — Google

CAS Numbers: 841290-80-0 , 841290-81-1 , [841290-80-0] , [841290-81-1]

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) 3.68 9.33 -15.15 3 11 0 129 470.461 7 ↓
Lo Low (pH 4.5-6) 3.68 9.46 -40.06 4 11 1 130 471.469 7 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.91e-02 g/l DrugBank-experimental
Target Syk Selleck Chemicals
Target Syk, Flt Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KSYK-1-E Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic Eukaryotes 41 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KSYK_HUMAN P43405 Tyrosine-protein Kinase SYK, Human 41 0.30 Binding ≤ 1μM
KSYK_HUMAN P43405 Tyrosine-protein Kinase SYK, Human 41 0.30 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Antigen activates B Cell Receptor (BCR) leading to generation of second messenge
DAP12 signaling
Fc epsilon receptor (FCERI) signaling
FCERI mediated Ca+2 mobilization
FCERI mediated MAPK activation
FCGR activation
GPVI-mediated activation cascade
Integrin alphaIIb beta3 signaling
Interleukin-2 signaling
Regulation of actin dynamics for phagocytic cup formation
Regulation of signaling by CBL
Role of LAT2/NTAL/LAB on calcium mobilization
Role of phospholipids in phagocytosis

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

No pre-computed analogs available. Try a structural similarity search.