M Wt. 269
Formula: C₁₄ H₁₁ N₃ O S
Smiles: OC1=CC=C(NC2=NC(=CS2)C3=CC=NC=C3)C=C1

Phenotype

Descriptor

Anatomical Features LH5305

Axis	Reduced length, curved ventrally
Blood	Present
Blood circulation	Absent, pooled
Brain	Reduced size
Cloaca	Present
Eye	Reduced size
Eye pigmentation	Reduced amount, majority absent
Forebrain	Reduced size
Fourth ventricle	Normal
Head	Abnormal, reduced size
Heart	Reduced size
Heart contraction	Reduced rate
Locomotion	Movement-loss
Melanocyte	Reduced amount, absent
Midbrain hindbrain boundary	Absent
Notochord	Wavy, reduced length
Otic placode	Normal
Otolith	Increased quantity
Pericardium	Normal
Post-vent region	Absent
Somite	Abnormal
Third Ventricle	Reduced size
Trunk	Reduced length
Tail	Reduced length
Whole organism	Abnormal color, reduced length
Yolk	Increased size

Cheminformatics

Molinspiration

Bioactivity score v2016.03

GPCR ligand                   -0.82
Ion channel modulator    -0.91
Kinase inhibitor               -1.13
Nuclear receptor ligand   -0.95
Protease inhibitor            -0.97
Enzyme inhibitor              -1.01

ChemProt TC>0.97

Target: Potency
Transitional Endoplasmic Reticulum ATPase IC50: 290.00

Lasso

Category	Target	PDB ID	Score
Kinases	EGFr, epidermal growth factor receptor	1m17	0.97
Kinases	VEGFr2, vascular endothelial growth factor receptor	1vr2	0.85
Kinases	HSP90, human heat shock protein 90	1uy6	0.84

Confirmed Pathway Activity

Synergist

Wnt signaling (EC2X): 5 uM

Confirmed Targets

DYRK2 IC₅₀ = 73 nM

PRKX IC₅₀ = 416 nM

Haspin IC₅₀= 428 nM

MNK2 IC₅₀ = 612 nM

CK1d IC₅₀= 989 nM

DYRK1/DYRK1A IC₅₀ = 2494 nM

 

Additional information

Inactive analogue available!

 

 

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