UCSF

ZINC01842518

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 21 Yes

Popular Name: 6-(4-Fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b]thiazole 6-(4-Fluorophenyl)-5-(pyridin-4-…

Find On: PubMed — Wikipedia — Google

CAS Number: 72873-74-6

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) 2.99 8.93 -11 0 3 0 31 297.358 2 ↓
Lo Low (pH 4.5-6) 2.99 9.58 -31.46 1 3 1 32 298.366 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX5-1-E Arachidonate 5-lipoxygenase (cluster #1 Of 6), Eukaryotic Eukaryotes 10000 0.33 Binding ≤ 10μM
MK11-1-E MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 400 0.43 Binding ≤ 10μM
MK12-1-E MAP Kinase P38 Gamma (cluster #1 Of 2), Eukaryotic Eukaryotes 400 0.43 Binding ≤ 10μM
MK13-1-E MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 400 0.43 Binding ≤ 10μM
MK14-1-E MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 820 0.41 Binding ≤ 10μM
PGH1-1-E Cyclooxygenase-1 (cluster #1 Of 6), Eukaryotic Eukaryotes 5400 0.35 Binding ≤ 10μM
MK11-1-E MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 5500 0.35 Functional ≤ 10μM
MK12-1-E MAP Kinase P38 Gamma (cluster #1 Of 1), Eukaryotic Eukaryotes 5500 0.35 Functional ≤ 10μM
MK13-1-E MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 5500 0.35 Functional ≤ 10μM
MK14-1-E MAP Kinase P38 Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 5500 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 110 0.46 Binding ≤ 1μM
MK11_HUMAN Q15759 MAP Kinase P38 Beta, Human 400 0.43 Binding ≤ 1μM
MK13_HUMAN O15264 MAP Kinase P38 Delta, Human 400 0.43 Binding ≤ 1μM
MK12_HUMAN P53778 MAP Kinase P38 Gamma, Human 400 0.43 Binding ≤ 1μM
LOX5_RAT P12527 Arachidonate 5-lipoxygenase, Rat 10000 0.33 Binding ≤ 10μM
PGH1_HUMAN P23219 Cyclooxygenase-1, Human 5400 0.35 Binding ≤ 10μM
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 110 0.46 Binding ≤ 10μM
MK11_HUMAN Q15759 MAP Kinase P38 Beta, Human 400 0.43 Binding ≤ 10μM
MK13_HUMAN O15264 MAP Kinase P38 Delta, Human 400 0.43 Binding ≤ 10μM
MK12_HUMAN P53778 MAP Kinase P38 Gamma, Human 400 0.43 Binding ≤ 10μM
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 520 0.42 Functional ≤ 10μM
MK11_HUMAN Q15759 MAP Kinase P38 Beta, Human 520 0.42 Functional ≤ 10μM
MK13_HUMAN O15264 MAP Kinase P38 Delta, Human 520 0.42 Functional ≤ 10μM
MK12_HUMAN P53778 MAP Kinase P38 Gamma, Human 520 0.42 Functional ≤ 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
COX reactions
DSCAM interactions
ERK/MAPK targets
KSRP destabilizes mRNA
NOD1/2 Signaling Pathway
Oxidative Stress Induced Senescence
p38MAPK events
Platelet sensitization by LDL
Synthesis of Prostaglandins (PG) and Thromboxanes (TX)
VEGFA-VEGFR2 Pathway

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

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