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Compound Detail

CHEMBL3394090

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Clc1cccc(Nc2nc(SC3CCCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3394090
Phase Preclinical
Structure Type MOL
InChI Key OZMBEEXTIVZRNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

484.5
MW (Da)
7.24
ALogP
6
HBA
1
HBD
55.6
PSA (Ų)
0.22
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23Cl2N5S
MW 484.46
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.73

Literature References

PubMed DOI Target Context # Activities
25469771 10.1021/jm5013159 No relevant target 2
25469771 10.1021/jm5013159 Proto-oncogene tyrosine-protein kinase Src 1
25469771 10.1021/jm5013159 Tyrosine-protein kinase ABL1 1
25469771 10.1021/jm5013159 NON-PROTEIN TARGET 1
25469771 10.1021/jm5013159 Liver microsome 1
25923950 10.1021/acs.jmedchem.5b00140 Tyrosine-protein kinase Fyn 1

Data from ChEMBL 36 via Core Engine