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Compound Detail

CHEMBL3325581

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Clc1ccc(/C=N/Nc2nc3ccccc3s2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3325581
Phase Preclinical
Structure Type MOL
InChI Key YUPRYQYVCWVVLK-CAOOACKPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

322.2
MW (Da)
5.05
ALogP
4
HBA
1
HBD
37.3
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9Cl2N3S
MW 322.22
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -2.59

Literature References

PubMed DOI Target Context # Activities
25147145 10.1016/j.ejmech.2014.08.039 NON-PROTEIN TARGET 2
25147145 10.1016/j.ejmech.2014.08.039 MDA-MB-435 1
25147145 10.1016/j.ejmech.2014.08.039 ADMET 1

Data from ChEMBL 36 via Core Engine