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Compound Detail

CHEMBL1624529

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NC1C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC12

Basic Information

ChEMBL ID CHEMBL1624529
Phase Preclinical
Structure Type MOL
InChI Key WVPSKSLAZQPAKQ-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
1.89
ALogP
6
HBA
2
HBD
101.5
PSA (Ų)
0.68
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 C20H15F3N4O3
MW 416.36
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.78

Activity Summary

Ki 3 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 3
CHEMBL1955
Ki 7.5 7.5 31.6 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 7.5 7.5 31.6 1
Ephrin type-A receptor 2
CHEMBL2068
Ki 6.4 6.4 398.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 ADMET 2
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine