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Compound Detail

CHEMBL475371

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Cc1ccc(Nc2nc(NCCN)ncc2C(N)=O)cc1

Basic Information

ChEMBL ID CHEMBL475371
Phase Preclinical
Structure Type MOL
InChI Key PHHCDYHRFLEBMR-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
1.00
ALogP
6
HBA
4
HBD
119.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18N6O
MW 286.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.50

Activity Summary

IC50 3 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 6.82 6.82 150.0 2
Tyrosine-protein kinase ZAP-70
CHEMBL2803
IC50 5.19 5.19 6500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19254842 10.1016/j.bmcl.2009.02.049 Tyrosine-protein kinase SYK 1
19674816 10.1016/j.ejmech.2009.07.018 Tyrosine-protein kinase ZAP-70 1
23917087 10.1016/j.ejmech.2013.04.070 Tyrosine-protein kinase SYK 1

Data from ChEMBL 36 via Core Engine