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Compound Detail

CHEMBL3415603

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Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3O)cnc2C(N)=O)c1

Basic Information

ChEMBL ID CHEMBL3415603
Phase Preclinical
Structure Type MOL
InChI Key HPROZIJWDVYNDL-ZBFHGGJFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
2.65
ALogP
6
HBA
4
HBD
113.2
PSA (Ų)
0.66
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 C19H25N5O2
MW 355.44
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.95

Activity Summary

IC50 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25625541 10.1021/jm5018169 Tyrosine-protein kinase SYK 1
25625541 10.1021/jm5018169 Calf thymus DNA 1
25625541 10.1021/jm5018169 Salmonella typhimurium 1
25625541 10.1021/jm5018169 Unchecked 1

Data from ChEMBL 36 via Core Engine