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Compound Detail

CHEMBL5841713

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CCCCNc1ncc2c(-c3ccc(S(=O)(=O)C4CCCC4)cc3)cn(C3CCC(O)CC3)c2n1

Basic Information

ChEMBL ID CHEMBL5841713
Phase Preclinical
Structure Type MOL
InChI Key YLAIGAIPEXSTTK-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.7
MW (Da)
5.50
ALogP
7
HBA
2
HBD
97.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H36N4O3S
MW 496.68
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.84

Activity Summary

IC50 3 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 8.89 8.89 1.3 1
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 7.47 7.47 34.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 7.42 7.42 38.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine