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Compound Detail

CHEMBL3325579

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CN(C)c1ccc(/C=N/Nc2nc3ccccc3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3325579
Phase Preclinical
Structure Type MOL
InChI Key OQMDXWUNOLJWGZ-GZTJUZNOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
3.81
ALogP
5
HBA
1
HBD
40.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N4S
MW 296.40
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -2.36

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