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Compound Detail

CHEMBL4102344

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C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(Br)cc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4102344
Phase Preclinical
Structure Type MOL
InChI Key APRKBUZCLDEBSM-JTQLQIEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

371.2
MW (Da)
4.49
ALogP
4
HBA
0
HBD
43.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12BrFN4
MW 371.21
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
28692292 10.1021/acs.jmedchem.7b00665 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
28692292 10.1021/acs.jmedchem.7b00665 Dual specificity protein kinase CLK1 1

Data from ChEMBL 36 via Core Engine