UCSF

ZINC28563821

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 34 No

Popular Name: SB590885 SB590885

Find On: PubMed — Wikipedia — Google

CAS Numbers: 405554-55-4 , [405554-55-4]

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) 4.01 10.68 -46.82 3 7 1 88 454.554 7 ↓
Hi High (pH 8-9.5) 4.01 8.14 -13.26 2 7 0 87 453.546 7 ↓
Hi High (pH 8-9.5) 4.01 8.18 -13.99 2 7 0 87 453.546 7 ↓
Hi High (pH 8-9.5) 4.01 8.04 -12.75 2 7 0 87 453.546 7 ↓
Hi High (pH 8-9.5) 4.01 8.12 -11.94 2 7 0 87 453.546 7 ↓
Mid Mid (pH 6-8) 4.01 11.12 -90.1 4 7 2 89 455.562 7 ↓
Mid Mid (pH 6-8) 4.01 10.6 -47.51 3 7 1 88 454.554 7 ↓
Mid Mid (pH 6-8) 4.01 10.58 -46.16 3 7 1 88 454.554 7 ↓
Mid Mid (pH 6-8) 4.01 11.14 -89.44 4 7 2 89 455.562 7 ↓
Mid Mid (pH 6-8) 4.01 10.59 -48.14 3 7 1 88 454.554 7 ↓
Lo Low (pH 4.5-6) 4.01 11.13 -89.25 4 7 2 89 455.562 7 ↓
Lo Low (pH 4.5-6) 4.01 11.11 -89.95 4 7 2 89 455.562 7 ↓

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
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BRAF_HUMAN P15056 Serine/threonine-protein Kinase B-raf, Human 0.3 0.39 Binding ≤ 1μM
BRAF_HUMAN P15056 Serine/threonine-protein Kinase B-raf, Human 0.3 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
ARMS-mediated activation
CREB phosphorylation through the activation of Ras
Frs2-mediated activation
Signalling to p38 via RIT and RIN
Spry regulation of FGF signaling

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

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