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Compound Detail

CHEMBL3967315

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Cn1cc2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)nnc3C(N)=O)cccc2n1

Basic Information

ChEMBL ID CHEMBL3967315
Phase Preclinical
Structure Type MOL
InChI Key GZYSRRCMPCBHEP-SMDDNHRTSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
1.28
ALogP
9
HBA
4
HBD
149.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N9O
MW 381.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.25

Activity Summary

IC50 3 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 9.1 8.4133 0.8 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28851503 10.1016/j.ejmech.2017.08.009 Tyrosine-protein kinase SYK 2

Data from ChEMBL 36 via Core Engine