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Compound Detail

CHEMBL1229525

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Cn1cc(-c2cc3cccnc3[nH]2)c2cc(C(=O)NC(C)(C)CO)ccc21

Basic Information

ChEMBL ID CHEMBL1229525
Phase Preclinical
Structure Type MOL
InChI Key XZRYCTLOGNCQDG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
3.22
ALogP
4
HBA
3
HBD
82.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H22N4O2
MW 362.43
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 6.24 6.24 570.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22257213 10.1021/jm201271b Tyrosine-protein kinase SYK 1

Data from ChEMBL 36 via Core Engine