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Compound Detail

CHEMBL1982700

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CCCCNC(=O)c1cn(C(CC)CC)c(=O)c2cc(OC)c(OC)cc12

Basic Information

ChEMBL ID CHEMBL1982700
Phase Preclinical
Structure Type MOL
InChI Key WDKDZAISMRAXQL-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

374.5
MW (Da)
3.91
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30N2O4
MW 374.48
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.63

Activity Summary

Ki 2 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase I isoform alpha
CHEMBL2793
Ki 7.3 7.3 50.1 1
Leukocyte tyrosine kinase receptor
CHEMBL5627
Ki 5.6 5.6 2511.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine