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Compound Detail

CHEMBL1965351

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Cc1cccc(C=NNc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1

Basic Information

ChEMBL ID CHEMBL1965351
Phase Preclinical
Structure Type MOL
InChI Key HSKAZIJJKRAJAV-UHFFFAOYSA-N
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
3.08
ALogP
8
HBA
1
HBD
84.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H26N6O2
MW 418.50
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -2.06

Activity Summary

Ki 7 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Calcium/calmodulin-dependent protein kinase type 1D
CHEMBL5073
Ki 6.1 6.1 794.3 1
Non-receptor tyrosine-protein kinase TYK2
CHEMBL3553
Ki 5.9 5.9 1258.9 1
Tyrosine-protein kinase Fer
CHEMBL3982
Ki 5.9 5.9 1258.9 1
Tyrosine-protein kinase SYK
CHEMBL2599
Ki 5.8 5.8 1584.9 1
Tyrosine-protein kinase FRK
CHEMBL4223
Ki 5.8 5.8 1584.9 1
Tyrosine-protein kinase Fes/Fps
CHEMBL5455
Ki 5.8 5.8 1584.9 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 5.4 5.4 3981.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine