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Compound Detail

CHEMBL3931248

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CN(C)C(=N)c1nc2ccc3ncnc(Nc4ccc(Br)cc4F)c3c2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3931248
Phase Preclinical
Structure Type MOL
InChI Key IAWAQMATBMOLLA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.3
MW (Da)
4.77
ALogP
6
HBA
2
HBD
77.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14BrFN6S
MW 445.32
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.57

Activity Summary

IC50 1 meas. best 6.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
 IC50 6.83 6.83 146.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity tyrosine-phosphorylation-regulated kinase 1A IC50 = 146.6 nM 6.83 HotSpot Technology Assay: The DYRK1A and DYRK1B kinase assays to determine IC50 ... -

Data from ChEMBL 36 via Core Engine