UCSF

ZINC26575654

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 25 Yes

Popular Name: SB-203580 analogue (4) SB-203580 analogue (4)

Find On: PubMed — Wikipedia — Google

CAS Number: 208182-31-4

Other Names:

MFCD18207764

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) 5.07 10.82 -9.84 1 3 0 42 394.247 3 ↓

Vendor Notes

Note Type Comments Provided By
Indications anticancer KeyOrganics Bioactives
PUBCHEM_PATENT_ID EP0959885A1; WO1998022108A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GLR-2-E Glucagon Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 2900 0.31 Binding ≤ 10μM
MK11-1-E MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 160 0.38 Binding ≤ 10μM
MK12-1-E MAP Kinase P38 Gamma (cluster #1 Of 2), Eukaryotic Eukaryotes 160 0.38 Binding ≤ 10μM
MK13-1-E MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 160 0.38 Binding ≤ 10μM
MK14-1-E MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 160 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GLR_HUMAN P47871 Glucagon Receptor, Human 270 0.37 Binding ≤ 1μM
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 160 0.38 Binding ≤ 1μM
MK11_HUMAN Q15759 MAP Kinase P38 Beta, Human 160 0.38 Binding ≤ 1μM
MK13_HUMAN O15264 MAP Kinase P38 Delta, Human 160 0.38 Binding ≤ 1μM
MK12_HUMAN P53778 MAP Kinase P38 Gamma, Human 160 0.38 Binding ≤ 1μM
GLR_HUMAN P47871 Glucagon Receptor, Human 270 0.37 Binding ≤ 10μM
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 160 0.38 Binding ≤ 10μM
MK11_HUMAN Q15759 MAP Kinase P38 Beta, Human 160 0.38 Binding ≤ 10μM
MK13_HUMAN O15264 MAP Kinase P38 Delta, Human 160 0.38 Binding ≤ 10μM
MK12_HUMAN P53778 MAP Kinase P38 Gamma, Human 160 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
activated TAK1 mediates p38 MAPK activation
Activation of PPARGC1A (PGC-1alpha) by phosphorylation
Activation of the AP-1 family of transcription factors
ADP signalling through P2Y purinoceptor 1
CDO in myogenesis
DSCAM interactions
ERK/MAPK targets
G alpha (q) signalling events
G alpha (s) signalling events
Glucagon signaling in metabolic regulation
Glucagon-type ligand receptors
KSRP destabilizes mRNA
NOD1/2 Signaling Pathway
Oxidative Stress Induced Senescence
p38MAPK events
Platelet sensitization by LDL
VEGFA-VEGFR2 Pathway

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

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