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Compound Detail

CHEMBL3325580

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O=C(O)c1ccccc1/C=N/Nc1nc2ccccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3325580
Phase Preclinical
Structure Type MOL
InChI Key POLSORPKQCANGR-CXUHLZMHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
3.44
ALogP
5
HBA
2
HBD
74.6
PSA (Ų)
0.57
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 C15H11N3O2S
MW 297.34
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.96

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