UCSF

ZINC42921347

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 40 No

Popular Name: 1-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]-3-[3-[(6-nitroquinazolin-4-yl)amino]phenyl]urea 1-[5-tert-butyl-2-(m-tolyl)pyraz…

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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) 7.20 16.25 -16.47 3 11 0 143 536.596 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MK14-1-E MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 50 0.26 Binding ≤ 10μM
SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic Eukaryotes 256 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 50 0.26 Binding ≤ 1μM
SRC_CHICK P00523 Tyrosine-protein Kinase SRC, Chick 207 0.23 Binding ≤ 1μM
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 50 0.26 Binding ≤ 10μM
SRC_CHICK P00523 Tyrosine-protein Kinase SRC, Chick 207 0.23 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
c-src mediated regulation of Cx43 function and closure of gap junctions
CD28 co-stimulation
CDO in myogenesis
CTLA4 inhibitory signaling
DCC mediated attractive signaling
Downstream signal transduction
DSCAM interactions
EPH-ephrin mediated repulsion of cells
EPH-Ephrin signaling
EPHA-mediated growth cone collapse
EPHB-mediated forward signaling
Ephrin signaling
ERK/MAPK targets
GAB1 signalosome
GP1b-IX-V activation signalling
GRB2:SOS provides linkage to MAPK signaling for Integrins
Integrin alphaIIb beta3 signaling
KSRP destabilizes mRNA
NCAM signaling for neurite out-growth
Netrin mediated repulsion signals
NOD1/2 Signaling Pathway
Oxidative Stress Induced Senescence
p130Cas linkage to MAPK signaling for integrins
p38MAPK events
Platelet sensitization by LDL
Regulation of KIT signaling
Signal regulatory protein (SIRP) family interactions
Signaling by EGFR
Signaling by ERBB2
Signaling by SCF-KIT
Thrombin signalling through proteinase activated receptors (PARs)
VEGFA-VEGFR2 Pathway
VEGFR2 mediated cell proliferation

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