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Compound Detail

CHEMBL2387123

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CN(C)C(=O)c1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2387123
Phase Preclinical
Structure Type MOL
InChI Key WULSBYKWCGDFOX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

421.3
MW (Da)
3.69
ALogP
4
HBA
2
HBD
91.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18Cl2N4O3
MW 421.28
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.84

Activity Summary

Ki 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Non-receptor tyrosine-protein kinase TYK2
CHEMBL3553
 Ki 7.52 7.52 30.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Non-receptor tyrosine-protein kinase TYK2 Ki = 30.1 nM 7.52 Inhibition of TYK2 (unknown origin) 23668484

Literature References

PubMed DOI Target Context # Activities
23668484 10.1021/jm400266t Unchecked 2
23668484 10.1021/jm400266t Non-receptor tyrosine-protein kinase TYK2 1

Data from ChEMBL 36 via Core Engine