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Compound Detail

CHEMBL3578205

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ClC(Cn1ncc2c(NCCc3ccccc3)nc(SC3CCCC3)nc21)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3578205
Phase Preclinical
Structure Type MOL
InChI Key DSFJEXFHWGTUJN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

478.1
MW (Da)
6.50
ALogP
6
HBA
1
HBD
55.6
PSA (Ų)
0.22
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28ClN5S
MW 478.07
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
25923950 10.1021/acs.jmedchem.5b00140 Tyrosine-protein kinase Fyn 1

Data from ChEMBL 36 via Core Engine