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Compound Detail

CHEMBL1983255

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CCCCOc1ccccc1CCc1cccc2nc(N)nc(N)c12

Basic Information

ChEMBL ID CHEMBL1983255
Phase Preclinical
Structure Type MOL
InChI Key GTIZMZIBMPMTQN-UHFFFAOYSA-N
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
3.76
ALogP
5
HBA
2
HBD
87.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N4O
MW 336.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.46

Activity Summary

Ki 8 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase I isoform alpha
CHEMBL2793
Ki 5.8 5.8 1584.9 1
Calcium/calmodulin-dependent protein kinase type II subunit beta
CHEMBL4121
Ki 5.6 5.6 2511.9 1
Calcium/calmodulin-dependent protein kinase type II subunit gamma
CHEMBL3829
Ki 5.5 5.5 3162.3 1
Serine/threonine-protein kinase PAK 1
CHEMBL4600
Ki 5.5 5.5 3162.3 1
Casein kinase I isoform delta
CHEMBL2828
Ki 5.4 5.4 3981.1 1
Calcium/calmodulin-dependent protein kinase type II subunit delta
CHEMBL2801
Ki 5.3 5.3 5011.9 1
Protein kinase C delta type
CHEMBL2996
Ki 5.3 5.3 5011.9 1
Serine/threonine-protein kinase TAO1
CHEMBL5261
Ki 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine