UCSF

ZINC34640412

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 25 No

Popular Name: GDC 0879 GDC 0879

Find On: PubMed — Wikipedia — Google

CAS Numbers: 905281-76-7 , [905281-76-7]

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) 1.69 3.85 -12.3 2 6 0 84 334.379 4 ↓
Lo Low (pH 4.5-6) 1.69 4.32 -39.62 3 6 1 85 335.387 4 ↓
Lo Low (pH 4.5-6) 1.69 4.3 -40.42 3 6 1 85 335.387 4 ↓

Vendor Notes

Note Type Comments Provided By
Target Raf Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BRAF-1-E Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
MK03-1-E MAP Kinase ERK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 63 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MK03_HUMAN P27361 MAP Kinase ERK1, Human 63 0.40 Binding ≤ 1μM
BRAF_HUMAN P15056 Serine/threonine-protein Kinase B-raf, Human 0.13 0.55 Binding ≤ 1μM
MK03_HUMAN P27361 MAP Kinase ERK1, Human 63 0.40 Binding ≤ 10μM
BRAF_HUMAN P15056 Serine/threonine-protein Kinase B-raf, Human 0.13 0.55 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of the AP-1 family of transcription factors
Advanced glycosylation endproduct receptor signaling
ARMS-mediated activation
CREB phosphorylation through the activation of Ras
ERK/MAPK targets
ERK1 activation
ERKs are inactivated
FCERI mediated MAPK activation
Frs2-mediated activation
Gastrin-CREB signalling pathway via PKC and MAPK
Growth hormone receptor signaling
ISG15 antiviral mechanism
NCAM signaling for neurite out-growth
Negative regulation of FGFR signaling
Oncogene Induced Senescence
Oxidative Stress Induced Senescence
Regulation of actin dynamics for phagocytic cup formation
Regulation of HSF1-mediated heat shock response
RNA Polymerase I Promoter Opening
Senescence-Associated Secretory Phenotype (SASP)
Signal attenuation
Signal transduction by L1
Signaling by FGFR
Signalling to p38 via RIT and RIN
Spry regulation of FGF signaling
Thrombin signalling through proteinase activated receptors (PARs)

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

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