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Compound Detail

CHEMBL3415604

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Cc1cc(CCC(C)(C)O)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3415604
Phase Preclinical
Structure Type MOL
InChI Key DXXJEYYXOKYVIX-ZWKOTPCHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

426.6
MW (Da)
3.01
ALogP
7
HBA
5
HBD
139.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H34N6O2
MW 426.57
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.30

Activity Summary

IC50 1 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
 IC50 9.4 9.4 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase SYK IC50 = 0.4 nM 9.4 Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed... 25625541

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