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Compound Detail

CHEMBL2017998

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CS(=O)(=O)Nc1cccc(-c2cnc(N)c(C(=O)NCC3CCNCC3)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2017998
Phase Preclinical
Structure Type MOL
InChI Key UCJDFWBCXROCMH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
0.83
ALogP
7
HBA
4
HBD
139.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24N6O3S
MW 404.50
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.25

Activity Summary

IC50 1 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
 IC50 6.17 6.17 670.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase receptor TYRO3 IC50 = 670.0 nM 6.17 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