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Compound Detail

CHEMBL2018008

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CC(C)(NC(=O)c1nc(-c2cccc(S(N)(=O)=O)c2)cnc1N)C1CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2018008
Phase Preclinical
Structure Type MOL
InChI Key HRIKWLPGTROFDJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
0.88
ALogP
7
HBA
4
HBD
153.1
PSA (Ų)
0.56
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 C19H26N6O3S
MW 418.52
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.83

Activity Summary

IC50 1 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
 IC50 6.19 6.19 640.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase receptor TYRO3 IC50 = 640.0 nM 6.19 Inhibition of human recombinant Sky using poly-GT as substrate and [33P]ATP afte... 22425453

Literature References

PubMed DOI Target Context # Activities
22425453 10.1016/j.bmcl.2012.02.087 Tyrosine-protein kinase receptor TYRO3 1

Data from ChEMBL 36 via Core Engine